Douglas Soares Galvao

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Orientou

Produções bibliográficas

• BRANDÃO, W.H.S. ; DE SOUSA, J.M. ; AGUIAR, A.L. ; GALVÃO, D.S. ; RIBEIRO, LUIZ A. ; FONSECA, ALEXANDRE F. . First-principles and reactive molecular dynamics study of the elastic properties of pentahexoctite-based nanotubes. MECHANICS OF MATERIALS , v. 183, p. 104694, 2023.

• MAHAPATRA, PREETI LATA ; SINGH, APPU KUMAR ; TROMER, RAPHAEL ; KUMBHAKAR, PARTHA ; SINHA, SHYAM KANTA ; LAHIRI, BASUDEV ; KUNDU, TARUN KUMAR ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR . Energy Harvesting using Two-dimensional Magnesiochromite (MgCr2O4). Materials Today Nano , v. 23, p. 100374, 2023.

• GOWDA, CHINMAYEE CHOWDE ; TROMER, RAPHAEL ; PANDEY, PRAFULL ; CHANDRAVANSHI, DHARITA ; CHANDRA, AMREESH ; CHATTOPADHYAY, KAMANIO ; GALVÃO, DOUGLAS S ; TIWARY, CHANDRA SEKHAR . Magnetic behavior of two-dimensional Manganese Telluride. 2D Materials , v. 10, p. 045006, 2023.

• TROMER, R.M. ; PEREIRA, M.L. ; RIBEIRO, L.A. ; GALVÃO, D.S. . 2D Hemiporphyrazine: A new nanoporous material. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , v. 150, p. 115705, 2023.

• MOTALA, M.J. ZHANG, X. KUMAR, P. OLIVEIRA, E.F. BENTON, A. MIESLE, P. RAO, R. STEVENSON, P.R. MOORE, D. ALFIERI, A. LYNCH, J. AUSTIN, D. POST, S. GAO, G. MA, S. ZHU, H. WANG, Z. PETROV, I. STACH, E.A. KENNEDY, W.J. VANGALA, S. TOUR, J.M. GALVAO, D.S. JARIWALA, D. MURATORE, C. , et al. SNURE, M. AJAYAN, P.M. GLAVIN, N.R. ; Synthesis of two-dimensional van der waals superlattices, heterostructures, and alloys from conversion of sequentially layered sub-nanometer metal films. Materials Today Nano , v. 22, p. 100319, 2023.

• ALBUQUERQUE, ANA CAMILA CAMPELO ; BEZERRA, KATYANNA SALES ; DE FÁTIMA VIANNA, JÉSSICA ; BATISTA, SABRYNNA OLIVEIRA ; DE LIMA NETO, JOSÉ XAVIER ; DE OLIVEIRA CAMPOS, DANIEL MELO ; OLIVEIRA, JONAS IVAN NOBRE ; GALVÃO, DOUGLAS SOARES ; FULCO, UMBERTO LAINO . In Silico Evaluation of the Binding Energies of Androgen Receptor Agonists in Wild-Type and Mutational Models. THE JOURNAL OF PHYSICAL CHEMISTRY. B (1997 : ONLINE) , v. 127, p. 5005-5017, 2023.

• DE SOUSA, J M ; MACHADO, L D ; WOELLNER, C F ; MEDINA, M ; Autreto, P A S ; Galvão, D S . Boron nitride nanotube peapods at ultrasonic velocity impacts: a fully atomistic molecular dynamics investigation. JOURNAL OF PHYSICS-CONDENSED MATTER , v. 35, p. 335701, 2023.

• KUMBHAKAR, PARTHA ; PRAMANIK, ASHIM ; MISHRA, SHASHANK SHEKHAR ; TROMER, RAPHAEL ; BISWAS, KRISHANU ; DASGUPTA, ARUP ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR . Enhanced Light Scattering Using a Two-Dimensional Quasicrystal-Decorated 3D-Printed Nature-Inspired Bio-photonic Architecture. Journal of Physical Chemistry C , v. 127, p. 9779-9786, 2023.

• ALHASHIM, SALMA H. ; BHATTACHARYYA, SOHINI ; TROMER, RAPHAEL ; KABBANI, AHMAD ; BABU, GANGULI ; OLIVEIRA, ELIEZER FERNANDO ; Galvao, Douglas S. ; AJAYAN, PULICKEL M. . Mechanistic Study of Lithium-Ion Battery Cathode Recycling Using Deep Eutectic Solvents. ACS Sustainable Chemistry & Engineering , v. 11, p. 6914-6922, 2023.

• MISHRA, S.S. ; KUMAR, SUMIT ; KUMBHAKAR, PARTHA ; KATIYAR, NIRMAL KUMAR ; TROMER, RAPHAEL ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. ; TIWARY, CHANDRA S. ; KUMAR, MAHESH ; BISWAS, KRISHANU . Utilization of two-dimensional multicomponent Quasicrystal for NO2 gas detection. MATERIALS CHEMISTRY AND PHYSICS , v. 298, p. 127449, 2023.

• SALPEKAR, DEVASHISH ; DONG, CHANGXIN ; OLIVEIRA, ELIEZER F. ; KHABASHESKU, VALERY N. ; GAO, GUANHUI ; OJHA, VED ; VAJTAI, ROBERT ; Galvao, Douglas S. ; BABU, GANGULI ; AJAYAN, PULICKEL M. . Fluorinated Multi-Walled Carbon Nanotubes Coated Separator Mitigates Polysulfide Shuttle in Lithium-Sulfur Batteries. Materials , v. 16, p. 1804, 2023.

• GADELHA, ANDREIJ C ; SANTOS, JOYCE C C ; RABELO, CASSIANO ; VASCONCELOS, THIAGO L ; ALENCAR, RAFAEL S ; MONKEN, VITOR ; MIRANDA, HUDSON L S ; CURY, LUIZ A ; JAQUES, YGOR M ; TROMER, RAPHAEL M ; GALVÃO, DOUGLAS S ; CANÇADO, LUIZ G ; NEVES, BERNARDO R A ; JORIO, ADO . Locally-enhanced optical properties in a hybrid organic/inorganic (coronene/MoS 2 ) Van der Waals heterostructure. 2D Materials , v. 10, p. 025015, 2023.

• MISHRA, SHASHANK SHEKHAR ; KUMBHAKAR, PARTHA ; NELLAIAPPAN, SUBRAMANIAN ; KATIYAR, NIRMAL KUMAR ; TROMER, RAPHAEL ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. ; TIWARY, CHANDRA S. ; GHOSH, CHANCHAL ; DASGUPTA, ARUP ; BISWAS, KRISHANU . Two-Dimensional Multicomponent Quasicrystal as Bifunctional Electrocatalysts for Alkaline Oxygen and Hydrogen Evolution Reactions. Energy Technology , v. 11, p. 2200860, 2023.

• TROMER, RAPHAEL M. ; PEREIRA JÚNIOR, MARCELO L. ; L. LIMA, KLEUTON A. ; FONSECA, ALEXANDRE F. ; DA SILVA, LUCIANO R. ; GALVÃO, DOUGLAS S. ; RIBEIRO JUNIOR, LUIZ. A. . Mechanical, Electronic, and Optical Properties of 8-16-4 Graphyne: A 2D Carbon Allotrope with Dirac Cones. Journal of Physical Chemistry C , v. 127, p. 12226-12234, 2023.

• MOREIRA, MURILO ; FELIX, LEVI C. ; COTTANCIN, EMMANUEL ; PELLARIN, MICHEL ; UGARTE, DANIEL ; HILLENKAMP, MATTHIAS ; Galvao, Douglas S. ; RODRIGUES, VARLEI . Influence of Cluster Sources on the Growth Mechanisms and Chemical Composition of Bimetallic Nanoparticles. Journal of Physical Chemistry C , v. 127, p. 1944-1954, 2023.

• R, KARTHIK ; SINGH, APPU KUMAR ; SREERAM, P R ; MAHAPATRA, PREETI LATA ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR . Energy harvesting from radio waves using few-layer 2D galena (galenene). Nanoscale , v. 15, p. 9022-9030, 2023.

• OLIVEIRA, CAIQUE C. ; MEDINA, MATHEUS ; Galvao, Douglas S. ; AUTRETO, PEDRO A. S. . Tetra-penta-deca-hexagonal-graphene (TPDH-graphene) hydrogenation patterns: dynamics and electronic structure. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 25, p. 13088-13093, 2023.

• MAHAPATRA, PREETI LATA ; SINGH, APPU KUMAR ; TROMER, RAPHAEL ; R., KARTHIK ; M., AMBRESHA ; COSTIN, GELU ; LAHIRI, BASUDEV ; KUNDU, TARUN KUMAR ; AJAYAN, P. M. ; ALTMAN, ERIC I. ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR . Energy harvesting using two-dimensional (2D) d-silicates from abundant natural minerals. Journal of Materials Chemistry C , v. 11, p. 2098-2106, 2023.

• DE ALCÂNTARA, AMADEUS C. S. ; FELIX, LEVI C. ; GALVÃO, DOUGLAS S. ; SOLLERO, PAULO ; SKAF, MUNIR S. . The Role of the Extrafibrillar Volume on the Mechanical Properties of Molecular Models of Mineralized Bone Microfibrils. ACS Biomaterials Science & Engineering , v. 9, p. 230-245, 2023.

• BRANDÃO, WJEFFERSON H.S. ; AGUIAR, ACRISIO L. ; FONSECA, ALEXANDRE F. ; GALVÃO, D.S. ; DE SOUSA, J.M. . Mechanical properties of tetragraphene single-layer: A molecular dynamics study. MECHANICS OF MATERIALS , v. 176, p. 104503, 2023.

• PEREIRA JÚNIOR, M.L. ; DA CUNHA, W.F. ; DE SOUSA JUNIOR, R.T. ; AMVAME NZE, G.D. ; GALVÃO, D.S. ; RIBEIRO JÚNIOR, L.A. . Dynamics and structural transformations of carbon onion-like structures under high-velocity impacts. CARBON , v. 189, p. 422-429, 2022.

• FELIX, LEVI C. ; TROMER, RAPHAEL M. ; WOELLNER, CRISTIANO F. ; TIWARY, CHANDRA S. ; Galvao, Douglas S. . Mechanical response of pentadiamond: A DFT and molecular dynamics study. PHYSICA B-CONDENSED MATTER , v. 629, p. 413576, 2022.

• YADAV, THAKUR PRASAD ; KUMBHAKAR, PARTHA ; MUKHOPADHYAY, N. K. ; Galvao, Douglas S. ; AJAYAN, P. M. ; RANGANATHAN, S. ; CHATTOPADHYAY, K. ; SEKHARTIWARY, CHANDRA . Revisiting Quasicrystals for the Synthesis of 2D Metals. TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS , v. 2022, p. 1, 2022.

• OLIVEIRA, ELIEZER F. ; AMBEKAR, RUSHIKESH S. ; Galvao, Douglas S. ; TIWARY, CHANDRA S. . Schwarzites and schwarzynes based load-bear resistant 3D printed hierarchical structures. Additive Manufacturing , v. 60, p. 103180, 2022.

• DAS, SHREYASI ; PAL, SOURABH ; KUMBHAKAR, PARTHA ; TROMER, RAPHAEL M. ; NEGEDU, SOLOMON DEMISS ; Galvao, Douglas S. ; DAS, SOUMEN ; TIWARY, CHANDRA SEKHAR ; RAY, SAMIT K. . Vacancy-Mediated Anomalous Emission Characteristics of Size-Confined Semiconducting CoTe 2. ACS Applied Materials & Interfaces , v. 14, p. 53139-53149, 2022.

• RIBEIRO, L.A. ; PEREIRA, M.L. ; GIOZZA, W.F. ; TROMER, R.M. ; GALVÃO, DOUGLAS S. . Thermal stability and fracture patterns of a recently synthesized monolayer fullerene network: A reactive molecular dynamics study. CHEMICAL PHYSICS LETTERS , v. 807, p. 140075, 2022.

• BRANDÃO, W.H.S. ; AGUIAR, A.L. ; RIBEIRO, L.A. ; GALVÃO, D.S. ; DE SOUSA, J.M. . A computational study on the mechanical properties of Pentahexoctite single-layer: Combining DFT and classical molecular dynamics simulations. CHEMICAL PHYSICS , v. 563, p. 111686, 2022.

• FELIX, LEVI C ; AMBEKAR, RUSHIKESH S ; WOELLNER, CRISTIANO F ; KUSHWAHA, BRIJESH ; PAL, VARINDER ; TIWARY, CHANDRA S ; GALVAO, DOUGLAS S . Mechanical properties of 3D-printed pentadiamond. JOURNAL OF PHYSICS D-APPLIED PHYSICS , v. 55, p. 465301, 2022.

• DESYATKIN, VICTOR G. ; MARTIN, WILLIAM B. ; ALIEV, ALI E. ; CHAPMAN, NATHANIEL E. ; FONSECA, ALEXANDRE F. ; GALVÃO, DOUGLAS S. ; MILLER, ERICKA ROY ; STONE, KEVIN H. ; WANG, ZHONG ; ZAKHIDOV, DANTE ; LIMPOCO, F. TED ; ALMAHDALI, SARAH R. ; PARKER, SHANE M. ; BAUGHMAN, RAY H. ; RODIONOV, VALENTIN O. . Scalable Synthesis and Characterization of Multilayer -Graphyne, New Carbon Crystals with a Small Direct Band Gap. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , v. 144, p. 17999-18008, 2022.

• LI, CHENXI ; OLIVEIRA, ELIEZER F. ; ZHANG, XIANG ; BISWAS, ABHIJIT ; ROY, SOUMYABRATA ; PUTHIRATH, ANAND B. ; RUZMETOV, DIMITRY A. ; NEUPANE, MAHESH R. ; WEIL, JAMES D. ; BIRDWELL, A. GLEN ; IVANOV, TONY G. ; TERLIER, TANGUY ; GRAY, TIA ; KANNAN, HARIKISHAN ; VAJTAI, ROBERT ; Galvao, Douglas S. ; AJAYAN, PULICKEL M. . Amination of Boron-Doped Diamond Surfaces. CHEMISTRY OF MATERIALS , v. 34, p. 7190-7200, 2022.

• TROMER, RAPHAEL M. ; RIBEIRO, LUIZ A. ; GALVÃO, DOUGLAS S. . A DFT study of the electronic, optical, and mechanical properties of a recently synthesized monolayer fullerene network. CHEMICAL PHYSICS LETTERS , v. 804, p. 139925, 2022.

• BALAN, ARAVIND PUTHIRATH ; PUTHIRATH, ANAND B. ; ROY, SOUMYABRATA ; COSTIN, GELU ; OLIVEIRA, ELIEZER FERNANDO ; SAADI, M.A.S.R. ; SREEPAL, VISHNU ; FRIEDRICH, RICO ; SERLES, PETER ; BISWAS, ABHIJIT ; IYENGAR, SATHVIK AJAY ; CHAKINGAL, NITHYA ; BHATTACHARYYA, SOHINI ; SAJU, SREEHARI K. ; PARDO, SAMUEL CASTRO ; SASSI, LUCAS M. ; FILLETER, TOBIN ; KRASHENINNIKOV, ARKADY ; GALVAO, DOUGLAS S ; VAJTAI, ROBERT ; NAIR, RAHUL R. ; AJAYAN, PULICKEL M. . Non-van der Waals quasi-2D materials; recent advances in synthesis, emergent properties and applications. Materials Today , v. 58, p. 164-200, 2022.

• MAHAPATRA, PREETI LATA ; TROMER, RAPHAEL ; PANDEY, PRAFULL ; COSTIN, GELU ; LAHIRI, BASUDEV ; CHATTOPADHYAY, KAMANIO ; P. M., AJAYAN ; ROY, AJIT K. ; Galvao, Douglas S. ; KUMBHAKAR, PARTHA ; TIWARY, CHANDRA SEKHAR . Synthesis and Characterization of Biotene: A New 2DNatural Oxide From Biotite (Small 27/2022). Small , v. 18, p. 2270144, 2022.

• OLIVEIRA, ELIEZER ; LI, CHENXI ; ZHANG, XIANG ; PUTHIRATH, ANAND ; NEUPANE, MAHESH R. ; WEIL, JAMES ; BIRDWELL, A. GLEN ; IVANOV, TONY ; KONG, SEOYUN ; GREY, TIA ; KANNAN, HARIKISHAN ; VAJTAI, ROBERT ; Galvao, Douglas ; AJAYAN, PULICKEL . Stability of oxygenated groups on pristine and defective diamond surfaces. Mrs Advances , v. 7, p. 543, 2022.

• NEGEDU, SOLOMON DEMISS ; TROMER, RAPHAEL ; SIDDIQUE, SAIF ; WOELLNER, CRISTIANO F. ; OLU, FEMI EMMANUEL ; PALIT, MITHUN ; ROY, AJIT K. ; PANDEY, PRAFULL ; Galvao, Douglas S. ; KUMBHAKAR, PARTHA ; TIWARY, CHANDRA SEKHAR . Enhancement in magnetization of two-dimensional cobalt telluride and its magnetic field-assisted photocatalytic activity. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING , v. 128, p. 379, 2022.

• ALCÂNTARA, AMADEUS C. S. ; FELIX, LEVI C. ; GALVÃO, DOUGLAS S. ; SOLLERO, PAULO ; SKAF, MUNIR S. . Devising Bone Molecular Models at the Nanoscale: From Usual Mineralized Collagen Fibrils to the First Bone Fibers Including Hydroxyapatite in the Extra-Fibrillar Volume. Materials , v. 15, p. 2274, 2022.

• PAUPITZ, RICARDO ; DA SILVA, TALES J. ; CALDAS, MARILIA J. ; GALVÃO, DOUGLAS S. ; FONSECA, ALEXANDRE F. . Auxetic properties of a newly proposed -graphyne-like material. CHEMICAL PHYSICS LETTERS , v. 787, p. 139220, 2022.

• GAAL, VLADIMIR ; FELIX, LEVI C. ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR ; D'ÁVILA, MARCOS AKIRA ; RODRIGUES, VARLEI . Mechanical properties of 3D printed macroscopic models of schwarzites. Nano Select , v. 3, p. 450-458, 2021.

• OLIVEIRA, ELIEZER F. ; NEUPANE, MAHESH R. ; LI, CHENXI ; KANNAN, HARIKISHAN ; ZHANG, XIANG ; PUTHIRATH, ANAND B. ; SHAH, PANKAJ B. ; GLEN BIRDWELL, A. ; IVANOV, TONY G. ; VAJTAI, ROBERT ; Galvao, Douglas S. ; AJAYAN, PULICKEL M. . A reactive molecular dynamics study of the hydrogenation of diamond surfaces. COMPUTATIONAL MATERIALS SCIENCE , v. 200, p. 110859, 2021.

• AMBEKAR, RUSHIKESH S. ; OLIVEIRA, ELIEZER F. ; KUSHWAHA, BRIJESH ; PAL, VARINDER ; AJAYAN, PULICKEL M. ; ROY, AJIT K. ; Galvao, Douglas S. ; TIWARY, CHANDRA S. . Flexure resistant 3D printed zeolite-inspired structures. Additive Manufacturing , v. 47, p. 102297, 2021.

• PEREIRA JÚNIOR, M.L. ; RIBEIRO JÚNIOR, L.A. ; GALVÃO, D.S. ; DE SOUSA, J.M. . Dynamical formation of graphene and graphane nanoscrolls. CHEMICAL PHYSICS LETTERS , v. 780, p. 138919, 2021.

• SIDDIQUE, SAIF ; CHOWDE GOWDA, CHINMAYEE ; DEMISS, SOLOMON ; TROMER, RAPHAEL ; PAUL, SOURAV ; SADASIVUNI, KISHOR KUMAR ; OLU, EMMANUEL FEMI ; CHANDRA, AMREESH ; KOCHAT, VIDYA ; GALVÃO, DOUGLAS S. ; KUMBHAKAR, PARTHA ; MISHRA, ROHAN ; AJAYAN, PULICKEL M. ; SEKHAR TIWARY, CHANDRA . Emerging two-dimensional tellurides. Materials Today , v. 51, p. 402-426, 2021.

• PUTHIRATH, ANAND B. ; BALAN, ARAVIND PUTHIRATH ; OLIVEIRA, ELIEZER F. ; SREEPAL, VISHNU ; ROBLES HERNANDEZ, FRANCISCO C. ; GAO, GUANHUI ; CHAKINGAL, NITHYA ; SASSI, LUCAS M. ; THIBEORCHEWS, PRASANKUMAR ; COSTIN, GELU ; VAJTAI, ROBERT ; Galvao, Douglas S. ; NAIR, RAHUL R. ; AJAYAN, PULICKEL M. . Apparent Ferromagnetism in Exfoliated Ultrathin Pyrite Sheets. Journal of Physical Chemistry C , v. 125, p. 18927-18935, 2021.

• DE SOUSA, J.M. ; AGUIAR, A.L. ; GIRÃO, E.C. ; FONSECA, ALEXANDRE F. ; COLUCI, V.R. ; GALVÃO, D.S. . Mechanical properties of single-walled penta-graphene-based nanotubes: A DFT and Classical molecular dynamics study. CHEMICAL PHYSICS , v. 547, p. 111187, 2021.

• PUTHIRATH, ANAND B. ; OLIVEIRA, ELIEZER F. ; GAO, GUANHUI ; CHAKINGAL, NITHYA ; KANNAN, HARIKISHAN ; LI, CHENXI ; ZHANG, XIANG ; BISWAS, ABHIJIT ; NEUPANE, MAHESH R. ; PATE, BRADFORD B. ; RUZMETOV, DMITRY A. ; BIRDWELL, A. GLEN ; IVANOV, TONY G. ; Galvao, Douglas S. ; VAJTAI, ROBERT ; AJAYAN, PULICKEL M. . Oxygenation of Diamond Surfaces via Hummer?s Method. CHEMISTRY OF MATERIALS , v. 33, p. 4977-4987, 2021.

• LI, CHENXI ; ZHANG, XIANG ; OLIVEIRA, ELIEZER F. ; PUTHIRATH, ANAND B. ; NEUPANE, MAHESH R. ; WEIL, JAMES D. ; BIRDWELL, A. GLEN ; IVANOV, TONY G. ; KONG, SEOYUN ; GRAY, TIA ; KANNAN, HARIKISHAN ; BISWAS, ABHIJIT ; VAJTAI, ROBERT ; Galvao, Douglas S. ; AJAYAN, PULICKEL M. . Systematic comparison of various oxidation treatments on diamond surface. CARBON , v. 182, p. 725-734, 2021.

• TROMER, RAPHAEL M. ; FELIX, LEVI C. ; RIBEIRO, LUIZ A. ; Galvao, Douglas S. . Optoelectronic properties of amorphous carbon-based nanotube and nanoscroll. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , v. 130, p. 114683, 2021.

• GUPTA, BRAMHA ; AMBEKAR, RUSHIKESH S. ; TROMER, RAPHAEL M. ; GHOSAL, PARTHA SARATHI ; SINHA, RUPAL ; MAJUMDER, ABHRADEEP ; KUMBHAKAR, PARTHA ; AJAYAN, P. M. ; Galvao, Douglas S. ; GUPTA, ASHOK KUMAR ; TIWARY, CHANDRA SEKHAR . Development of a schwarzite-based moving bed 3D printed water treatment system for nanoplastic remediation. RSC Advances , v. 11, p. 19788-19796, 2021.

• MACHADO, LEONARDO D. ; BIZAO, RAFAEL A. ; PUGNO, NICOLA M. ; GALVÃO, DOUGLAS S. . Controlling Movement at Nanoscale: Curvature Driven Mechanotaxis. Small , v. 17, p. 2100909, 2021.

• TROMER, RAPHAEL M. ; MACHADO, LEONARDO D. ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. . Thiophene-Tetrathia-Annulene monolayer (TTA-2D): A new 2D semiconductor material with indirect bandgap. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , v. 129, p. 114586, 2021.

• SIDDIQUE, SAIF ; GOWDA, CHINMAYEE C. ; TROMER, RAPHAEL ; DEMISS, SOLOMON ; GAUTAM, ABHAY R. SINGH ; FEMI, OLU E. ; KUMBHAKAR, PARTHA ; Galvao, Douglas S. ; CHANDRA, AMREESH ; TIWARY, CHANDRA S. . Scalable Synthesis of Atomically Thin Gallium Telluride Nanosheets for Supercapacitor Applications. Acs Applied Nano Materials , v. 4, p. 4829-4838, 2021.

• PEREIRA JÚNIOR, MARCELO LOPES ; DA CUNHA, WILIAM F. ; Galvao, D. S. ; RIBEIRO JUNIOR, LUIZ ANTONIO . A Reactive Molecular Dynamics Study on the Mechanical Properties of a Recently Synthesized Amorphous Carbon Monolayer Converted into a Nanotube/Nanoscroll. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 23, p. 9089, 2021.

• DE SOUSA, J.M. ; AGUIAR, A.L. ; GIRÃO, E.C. ; FONSECA, ALEXANDRE F. ; SOUZA FILHO, A.G. ; GALVÃO, D.S. . Computational study of elastic, structural stability and dynamics properties of penta-graphene membrane. CHEMICAL PHYSICS , v. 542, p. 111052, 2021.

• FONSECA, ALEXANDRE F. ; GALVÃO, DOUGLAS S. . Graphene-based nanoscale version of da Vinci?s reciprocal structures. COMPUTATIONAL MATERIALS SCIENCE , v. 187, p. 110105, 2021.

• PARIDA, SANTANU ; SAHOO, MADHUSMITA ; N, ABHARANA ; TROMER, RAPHAEL M. ; Galvao, Douglas S. ; DHARA, SANDIP . Effect of Oxygen and Aluminum Incorporation on the Local Structure of GaN Nanowires: Insight from Extended X-ray Absorption Fine Structure Analysis. Journal of Physical Chemistry C , v. 125, p. 3225-3234, 2021.

• TROMER, RAPHAEL M. ; FELIX, LEVI C. ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. . A DFT investigation of the electronic, optical, and thermoelectric properties of pentadiamond. CHEMICAL PHYSICS LETTERS , v. 763, p. 138210, 2021.

• BRANDÃO, W. H. S. ; AGUIAR, A. L. ; RIBEIRO, L. A. ; GALVÃO, D. S. ; DE SOUSA, J. M. . On the Mechanical Properties of Popgraphene-Based Nanotubes: a Reactive Molecular Dynamics Study. CHEMPHYSCHEM , v. 22, p. 701-707, 2021.

• AMBEKAR, RUSHIKESH S. ; OLIVEIRA, ELIEZER F. ; KUSHWAHA, BRIJESH ; PAL, VARINDER ; MACHADO, LEONARDO D. ; SAJADI, SEYED MOHAMMAD ; BAUGHMAN, RAY H. ; AJAYAN, PULICKEL M. ; ROY, AJIT K. ; Galvao, Douglas S. ; TIWARY, CHANDRA S. . On the mechanical properties of atomic and 3D printed zeolite-templated carbon nanotube networks. Additive Manufacturing , v. 37, p. 101628, 2021.

• RIBEIRO JUNIOR, LUIZ ANTONIO ; TROMER, RAPHAEL ; DOS SANTOS, RAMIRO MARCELO ; Galvao, D. S. . On the Adsorption Mechanism of Caffeine on MAPbI3 Perovskite Surfaces: A Combined UMC--DFT Study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 23, p. 10807, 2021.

• MEIYAZHAGAN, ASHOKKUMAR ; SERLES, PETER ; SALPEKAR, DEVASHISH ; OLIVEIRA, ELIEZER FERNANDO ; ALEMANY, LAWRENCE B. ; FU, RIQIANG ; GAO, GUANHUI ; ARIF, TAIB ; VAJTAI, ROBERT ; SWAMINATHAN, VENKATARAMAN ; Galvao, Douglas S. ; KHABASHESKU, VALERY N. ; FILLETER, TOBIN ; AJAYAN, PULICKEL M. . Gas-Phase Fluorination of Hexagonal Boron Nitride. ADVANCED MATERIALS , v. 33, p. 2106084, 2021.

• LASCANE, LEONARDO G. ; OLIVEIRA, ELIEZER F. ; GALVÃO, DOUGLAS S. ; BATAGIN-NETO, AUGUSTO . Polyfuran-based chemical sensors: Identification of promising derivatives via DFT calculations and fully atomistic reactive molecular dynamics. EUROPEAN POLYMER JOURNAL , v. 141, p. 110085, 2020.

• JÚNIOR, M.L. PEREIRA ; DE SOUSA, J.M. ; BRANDÃO, W.H.S. ; AGUIAR, A.L. ; BIZAO, R.A. ; JÚNIOR, L.A. RIBEIRO ; GALVÃO, D.S. . On the elastic properties of single-walled phagraphene nanotubes. CHEMICAL PHYSICS LETTERS , v. 756, p. 137830, 2020.

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• OLIVEIRA, ELIEZER FERNANDO ; BATAGIN-NETO, AUGUSTO ; GALVAO, DOUGLAS SOARES . On the sulfur doping of -graphdiyne: A Molecular Dynamics and DFT study. MRS ADVANCES , v. 5, p. 2701-2706, 2020.

• CHIPARA, ALIN CRISTIAN ; BRUNETTO, GUSTAVO ; OZDEN, SEHMUS ; HASPEL, HENRIK ; KUMBHAKAR, PARTHA ; KUKOVECZ, ÁKOS ; KÓNYA, ZOLTÁN ; VAJTAI, ROBERT ; CHIPARA, MIRCEA ; Galvao, Douglas S. ; TIWARY, CHANDRA SHAKER ; AJAYAN, PULICKEL M. . Nature inspired solid-liquid phase amphibious adhesive. Soft Matter , v. 16, p. 5854-5860, 2020.

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• FELIX, LEVI C. ; GAÁL, VLADIMIR ; WOELLNER, CRISTIANO F. ; RODRIGUES, VARLEI ; Galvao, Douglas S. . Mechanical Properties of Diamond Schwarzites: From Atomistic Models to 3D-Printed Structures. MRS ADVANCES , v. 5, p. 1775-1781, 2020.

• DE SOUSA, J.M. ; AUTRETO, P.A.S. ; GALVÃO, D.S. . Hydrogenation Dynamics Process of Single-Wall Carbon Nanotube Twisted. CHEMICAL PHYSICS LETTERS , v. 739, p. 136960, 2020.

• BHOWMICK, SANJIT ; OZDEN, SEHMUS ; BIZÃO, RAFAEL A. ; MACHADO, LEONARDO DANTAS ; ASIF, S.A. SYED ; PUGNO, NICOLA M. ; GALVÃO, DOUGLAS S. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, P.M. . High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures. CARBON , v. 142, p. 291-299, 2019.

• COLLINS, SEAN P. ; PERIM, E. ; DAFF, THOMAS D. ; SKAF, MUNIR S. ; GALVÃO, DOUGLAS S. ; WOO, TOM K. . Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage. Journal of Physical Chemistry C , v. 123, p. 1050-1058, 2019.

• OLIVEIRA, ELIEZER F. ; AUTRETO, PEDRO A. S. ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. . Mechanical Properties of Protomene: A Molecular Dynamics Investigation. MRS Advances , v. 2019, p. 1-6, 2019.

• OWUOR, P.S. ; INTHONG, S. ; SAJADI, S.M. ; INTAWIN, P. ; CHIPARA, A.C. ; WOELLNER, C.F. ; SAYED, F.N. ; TSANG, H.H. ; STENDER, A. ; VAJTAI, R. ; PENGPAT, K. ; EITSSAYEAM, S. ; GALVÃO, D.S. ; LOU, J. ; TIWARY, C.S. ; AJAYAN, P.M. . Elastic and `transparent bone? as an electrochemical separator. Materials Today Chemistry , v. 12, p. 132-138, 2019.

• OLIVEIRA, ELIEZER F. ; AUTRETO, PEDRO A.S. ; WOELLNER, CRISTIANO F. ; Galvao, Douglas S. . On the mechanical properties of protomene: A theoretical investigation. COMPUTATIONAL MATERIALS SCIENCE , v. 161, p. 190-198, 2019.

• SUSARLA, SANDHYA ; MANIMUNDA, PRAVEENA ; JAQUES, YGOR M. ; HACHTEL, JORDAN A. ; IDROBO, JUAN C. ; ASIF, S. A. SYED ; GALVÃO, DOUGLAS S. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Strain-Induced Structural Deformation Study of 2D Mo W S. Advanced Materials Interfaces , v. 6, p. 1801262, 2019.

• ROUT, ARPAN ; PANDEY, PRAFULL ; OLIVEIRA, ELIEZER FERNANDO ; DA SILVA AUTRETO, PEDRO ALVES ; GUMASTE, ANURAG ; SINGH, AMIT ; GALVÃO, DOUGLAS SOARES ; ARORA, AMIT ; TIWARY, CHANDRA SEKHAR . Atomically locked interfaces of metal (Aluminum) and polymer (Polypropylene) using mechanical friction. POLYMER , v. 169, p. 148-153, 2019.

• SOLIS, DANIEL A. ; D. BORGES, DAIANE ; WOELLNER, CRISTIANO F. ; GALVÃO, DOUGLAS S. . Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures. ACS Applied Materials & Interfaces , v. 11, p. 2670-2676, 2019.

• MORAIS JAQUES, YGOR ; SOARES GALVÃO, DOUGLAS . Spreading Patterns of High Velocity Nanodroplets Impacting on Suspended Graphene. JOURNAL OF MOLECULAR LIQUIDS , v. 292, p. 110429, 2019.

• DE SOUSA, J.M. ; BIZAO, R.A. ; SOUSA FILHO, V.P. ; AGUIAR, A.L. ; COLUCI, V.R. ; PUGNO, N.M. ; GIRAO, E.C. ; SOUZA FILHO, A.G. ; GALVAO, D.S. . Elastic properties of graphyne-based nanotubes. COMPUTATIONAL MATERIALS SCIENCE , v. 170, p. 109153, 2019.

• WANG, RUN FANG, SHAOLI XIAO, YICHENG GAO, ENLAI JIANG, NAN LI, YAOWANG MOU, LINLIN SHEN, YANAN ZHAO, WUBIN LI, SITONG FONSECA, ALEXANDRE F. GALVÃO, DOUGLAS S. CHEN, MENGMENG HE, WENQIAN YU, KAIQING LU, HONGBING WANG, XUEMIN QIAN, DONG ALIEV, ALI E. LI, NA HAINES, CARTER S. LIU, ZHONGSHENG MU, JIUKE WANG, ZHONG YIN, SHOUGEN , et al. LIMA, MÁRCIO D. AN, BAIGANG ZHOU, XIANG LIU, ZUNFENG BAUGHMAN, RAY H. ; Torsional refrigeration by twisted, coiled, and supercoiled fibers. SCIENCE , v. 366, p. 216-221, 2019.

• FONSECA, ALEXANDRE F ; DANTAS, SÓCRATES O ; GALVÃO, DOUGLAS S ; ZHANG, DIFAN ; SINNOTT, SUSAN B . The structure of graphene on graphene/C 60 /Cu interfaces: a molecular dynamics study. NANOTECHNOLOGY , v. 30, p. 505707, 2019.

• WOELLNER, C. F. ; MACHADO, L. D. ; Autreto, P. A. S. ; DE SOUSA, J. M. ; Galvao, D. S. . Structural transformations of carbon and boron nitride nanoscrolls at high impact collisions. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 20, p. 4911-4916, 2018.

• OWUOR, PETER SAMORA ; CHAUDHARY, VARUN ; WOELLNER, CRISTIANO F. ; SHARMA, V ; RAMANUJAN, R.V. ; STENDER, ANTHONY S. ; SOTO, MATIAS ; OZDEN, SEHMUS ; BARRERA, ENRIQUE V. ; VAJTAI, ROBERT ; GALVÃO, DOUGLAS S. ; LOU, JUN ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . High stiffness polymer composite with tunable transparency. Materials Today , v. xx, p. xx, 2018.

• SAJADI, SEYED MOHAMMAD ; OWUOR, PETER SAMORA ; SCHARA, STEVEN ; WOELLNER, CRISTIANO F. ; RODRIGUES, VARLEI ; VAJTAI, ROBERT ; LOU, JUN ; GALVÃO, DOUGLAS S. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Multiscale Geometric Design Principles Applied to 3D Printed Schwarzites. ADVANCED MATERIALS , v. 30, p. 1704820, 2018.

• WOELLNER, CRISTIANO F. ; OWUOR, PETER S. ; LI, TONG ; VINOD, SOUMYA ; OZDEN, SEHMUS ; KOSOLWATTANA, SUPPANAT ; BHOWMICK, SANJIT ; DUY, LUONG X. ; SALVATIERRA, RODRIGO V. ; WEI, BINGQING ; AMANULLA, SYED A. S. ; TOUR, JAMES M. ; VAJTAI, ROBERT ; LOU, JUN ; GALVÃO, DOUGLAS S. ; TIWARY, CHANDRA S. ; AJAYAN, PULICKEL. M. . Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams. MRS Advances , v. xx, p. 1-6, 2018.

• DE SOUSA, J. M. ; AGUIAR, A. L. ; GIRÃO, E. C. ; FONSECA, ALEXANDRE F. ; FILHO, A. G. SOUSA ; Galvao, Douglas S. . Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation. MRS Advances , v. xx, p. 1-6, 2018.

• AZEVEDO, DAVID L. ; BIZAO, RAFAEL A. ; Galvao, Douglas S. . Molecular dynamics simulations of ballistic penetration of penta-graphene sheets. MRS Advances , v. xx, p. 1-5, 2018.

• OLIVEIRA, ELIEZER FERNANDO ; DOS SANTOS, RICARDO PAUPITZ BARBOSA ; AUTRETO, PEDRO ALVES DA SILVA ; MOSHKALEV, STANISLAV ; GALVÃO, DOUGLAS SOARES . Improving Graphene-metal Contacts: Thermal Induced Polishing. MRS Advances , v. xx, p. 1-6, 2018.

• JAQUES, Y. M. ; MANIMUNDA, P. ; NAKANISHI, Y. ; SUSARLA, S. ; WOELLNER, C. F. ; BHOWMICK, S. ; ASIF, S. A. S. ; GALVÃO, D. S. ; TIWARY, C. S. ; AJAYAN, P. M. . Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2. MRS Advances , v. xx, p. 1-6, 2018.

• OLIVEIRA, ELIEZER FERNANDO ; DA SILVA AUTRETO, PEDRO ALVES ; GALVÃO, DOUGLAS SOARES . On hardening silver nanocubes by high-velocity impacts: a fully atomistic molecular dynamics investigation. JOURNAL OF MATERIALS SCIENCE , v. 53, p. 7486-7492, 2018.

• MIYAZAKI, CELINA M. ; MARIA, MARCO A. E. ; BORGES, DAIANE DAMASCENO ; WOELLNER, CRISTIANO F. ; BRUNETTO, GUSTAVO ; FONSECA, ALEXANDRE F. ; CONSTANTINO, CARLOS J. L. ; PEREIRA-DA-SILVA, MARCELO A. ; DE SIERVO, ABNER ; Galvao, Douglas S. ; RIUL, ANTONIO . Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt. JOURNAL OF MATERIALS SCIENCE , v. 53, p. 10049-10058, 2018.

• GAUTAM, CHANDKIRAM ; CHAKRAVARTY, DIBYENDU ; GAUTAM, AMARENDRA ; TIWARY, CHANDRA SEKHAR ; WOELLNER, CRISTIANO FRANCISCO ; MISHRA, VIJAY KUMAR ; AHMAD, NASEER ; OZDEN, SEHMUS ; JOSE, SUJIN ; BIRADAR, SANTOSHKUMAR ; VAJTAI, ROBERT ; TRIVEDI, RITU ; Galvao, Douglas S. ; AJAYAN, PULICKEL M. . Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications. ACS Omega , v. 3, p. 6013-6021, 2018.

• PUTHIRATH BALAN, ARAVIND ; RADHAKRISHNAN, SRUTHI ; WOELLNER, CRISTIANO F. ; SINHA, SHYAM K. ; DENG, LIANGZI ; REYES, CARLOS DE LOS ; RAO, BANKI MANMADHA ; PAULOSE, MAGGIE ; NEUPANE, RAM ; APTE, AMEY ; KOCHAT, VIDYA ; VAJTAI, ROBERT ; HARUTYUNYAN, AVETIK R. ; CHU, CHING-WU ; COSTIN, GELU ; Galvao, Douglas S. ; MARTÍ, ANGEL A. ; VAN AKEN, PETER A. ; VARGHESE, OOMMAN K. ; TIWARY, CHANDRA SEKHAR ; MALIE MADOM RAMASWAMY IYER, ANANTHARAMAN ; AJAYAN, PULICKEL M. . Exfoliation of a non-van der Waals material from iron ore hematite. Nature Nanotechnology , v. xx, p. xx, 2018.

• SUSARLA, SANDHYA ; MANIMUNDA, PRAVEENA ; MORAIS JAQUES, YGOR ; HACHTEL, JORDAN A. ; IDROBO, JUAN CARLOS ; SYED AMNULLA, SYED ASIF ; GALVÃO, DOUGLAS SOARES ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Deformation Mechanisms of Vertically Stacked WS /MoS Heterostructures: The Role of Interfaces. ACS Nano , v. 12, p. 4036-4044, 2018.

• KABBANI, MOHAMAD A. ; KOCHAT, VIDYA ; BHOWMICK, SANJIT ; SOTO, MATIAS ; SOM, ANIRBAN ; KRISHNADAS, K.R. ; WOELLNER, CRISTIANO F. ; JAQUES, YGOR M. ; BARRERA, ENRIQUE V. ; ASIF, SYED ; VAJTAI, ROBERT ; PRADEEP, THALAPPIL ; GALVÃO, DOUGLAS S. ; KABBANI, AHMAD T. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Consolidation of functionalized graphene at ambient temperature via mechano-chemistry. CARBON , v. 134, p. 491-499, 2018.

• RIBEIRO, HÉLIO ; TRIGUEIRO, JOÃO P.C. ; OWUOR, PETER S. ; MACHADO, LEONARDO D. ; WOELLNER, CRISTIANO F. ; PEDROTTI, JAIRO J. ; JAQUES, YGOR M. ; KOSOLWATTANA, SUPPANAT ; CHIPARA, ALIN ; SILVA, WELLINGTON M. ; SILVA, CARLOS J.R. ; GALVÃO, DOUGLAS S. ; CHOPRA, NITIN ; ODEH, IHAB N. ; TIWARY, CHANDRA S. ; SILVA, GLAURA G. ; AJAYAN, PULICKEL M. . Hybrid 2D nanostructures for mechanical reinforcement and thermal conductivity enhancement in polymer composites. COMPOSITES SCIENCE AND TECHNOLOGY , v. 159, p. 103-110, 2018.

• DAMASCENO BORGES, DAIANE ; Galvao, Douglas S. . Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study. MRS Advances , v. 3, p. 1-6, 2018.

• OLIVEIRA, ELIEZER FERNANDO ; AUTRETO, PEDRO ALVES DA SILVA ; GALVÃO, DOUGLAS SOARES . Silver Hardening via Hypersonic Impacts. MRS Advances , v. 3, p. 1-6, 2018.

• DE SOUSA, J. M. ; AGUIAR, A. L. ; GIRÃO, E. C. ; FONSECA, ALEXANDRE F. ; SOUZA FILHO, A. G. ; Galvao, Douglas S. . Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study. MRS Advances , v. 3, p. 1-6, 2018.

• FONSECA, ALEXANDRE F. ; GALVÃO, DOUGLAS S. . Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation. MRS Advances , v. 3, p. 1-6, 2018.

• WOELLNER, CRISTIANO F. ; BOTARI, TIAGO ; Perim, Eric ; GALVÃO, DOUGLAS S. . Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation. MRS Advances , v. 3, p. 451-456, 2018.

• YADAV, THAKUR PRASAD ; WOELLNER, CRISTIANO F. ; SINHA, SHYAM K. ; SHARIFI, TIVA ; APTE, AMEY ; MUKHOPADHYAY, NILAY KRISHNA ; SRIVASTAVA, ONKAR NATH ; VAJTAI, ROBERT ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Liquid Exfoliation of Icosahedral Quasicrystals. ADVANCED FUNCTIONAL MATERIALS , v. 2018, p. 1801181, 2018.

• DEVI, M. MANOLATA ; DOLAI, N. ; SREEHALA, S. ; JAQUES, Y. M. ; MISHRA, R. S. KUMAR ; Galvao, Douglas S. ; TIWARY, C. S. ; SHARMA, SUDHANSHU ; BISWAS, KRISHANU . Morphology controlled graphene-alloy nanoparticle hybrids with tunable carbon monoxide conversion to carbon dioxide. Nanoscale , v. 10, p. 8840-8850, 2018.

• ZINK, STEFAN ; MOURA, ALIRIO ; AUTRETO, PEDRO ALVES DA SILVA ; GALVAO, D S ; MIZAIKOFF, BORIS . Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 20, p. 13153-13158, 2018.

• ZINK, S. ; MOURA, F. A. ; AUTRETO, P. ALVES DA SILVA ; GALVÃO, D. S. ; MIZAIKOFF, B. . Virtually imprinted polymers (VIPs): understanding molecularly templated materials via molecular dynamics simulations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , v. 20, p. 13145-13152, 2018.

• DAMASCENO BORGES, DAIANE ; WOELLNER, CRISTIANO F. ; AUTRETO, PEDRO A. S. ; Galvao, Douglas S. . Water/Alcohol Separation in Graphene Oxide Membranes: Insights from Molecular Dynamics and Monte Carlo Simulations. MRS Advances , v. 3, p. 109-114, 2018.

• BIZAO, RAFAEL A. ; MACHADO, LEONARDO D. ; DE SOUSA, JOSE M. ; PUGNO, NICOLA M. ; Galvao, Douglas S. . Scale Effects on the Ballistic Penetration of Graphene Sheets. Scientific Reports , v. 8, p. 6750, 2018.

• CHIPARA, A.C. ; TSAFACK, T. ; OWUOR, P.S. ; YEON, J. ; JUNKERMEIER, C.E. ; VAN DUIN, A.C.T. ; BHOWMICK, S. ; ASIF, S.A.S. ; RADHAKRISHNAN, S. ; PARK, J.H. ; BRUNETTO, G. ; KAIPPARETTU, B.A. ; GALVÃO, D.S. ; CHIPARA, M. ; LOU, J. ; TSANG, H.H. ; DUBEY, M. ; VAJTAI, R. ; TIWARY, C.S. ; AJAYAN, P.M. . Underwater adhesive using solid-liquid polymer mixes. Materials Today Chemistry , v. 9, p. 149-157, 2018.

• OLIVEIRA, ELIEZER FERNANDO ; AUTRETO, PEDRO ALVES DA SILVA ; WOELLNER, CRISTIANO FRANCISCO ; GALVAO, DOUGLAS SOARES . On the mechanical properties of novamene: A fully atomistic molecular dynamics and DFT investigation. CARBON , v. 139, p. 782-788, 2018.

• FONSECA, ALEXANDRE F. ; GALVÃO, DOUGLAS S. . Self-tearing and self-peeling of folded graphene nanoribbons. CARBON , v. 142, p. 230-239, 2018.

• SOLIS, DANIEL ; WOELLNER, CRISTIANO F. ; BORGES, DAIANE D. ; Galvao, Douglas S. . Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls. MRS Advances , v. 2017, p. 1-6, 2017.

• DAMASCENO BORGES, DAIANE ; MAURIN, GUILLAUME ; GALVÃO, DOUGLAS S. . Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries. MRS Advances , v. 2017, p. 1-6, 2017.

• ALVES, ANA PAULA P. ; KOIZUMI, RYOTA ; SAMANTA, ATANU ; MACHADO, LEONARDO D. ; SINGH, ABHISEK K. ; Galvao, Douglas S. ; SILVA, GLAURA G. ; TIWARY, CHANDRA S. ; AJAYAN, PULICKEL M. . One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance. Nano Energy , v. 31, p. 225-232, 2017.

• JAQUES, YGOR M. ; GALVÃO, DOUGLAS S. . Nanodroplets Behavior on Graphdiyne Membranes. MRS Advances , v. 2017, p. 1-6, 2017.

• JAQUES, YGOR M. ; Galvao, Douglas S. . Permeation of Water Nanodroplets on Carbon Nanotubes Forests. MRS Advances , v. 2017, p. 1-6, 2017.

• CHIPARA, ALIN CRISTIAN ; OWUOR, PETER SAMORA ; BHOWMICK, SANJIT ; BRUNETTO, GUSTAVO ; ASIF, S. A. SYED ; CHIPARA, MIRCEA ; VAJTAI, ROBERT ; LOU, JUN ; Galvao, Douglas S. ; TIWARY, CHANDRA SEKHAR ; AJAYAN, PULICKEL M. . Structural Reinforcement through Liquid Encapsulation. Advanced Materials Interfaces , v. 4, p. 1600781, 2017.

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• BRUNETTO, GUSTAVO ; BRUNETTO, G. ; AUTRETO, PEDRO ALVES DA SILVA ; MACHADO, LEONARDO DANTAS ; SANTOS, BRUNO INDRIGO ; SANTOS, RICARDO ; GALVAO, DOUGLAS SOARES ; GALVÃO, D. S. ; Autreto, P. A. S. ; dos Santos, R. P. B. ; MACHADO, L. D. ; SANTOS, B. I. . Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene. Journal of Physical Chemistry. C. (Online) , v. 5, p. 120508112932001, 2012.

• Lagos, M. J. ; Autreto, P. A. S. ; Galvao, D. S. ; Ugarte, D. . Correlation between quantum conductance and atomic arrangement of atomic-size silver nanowires. Journal of Applied Physics , v. 111, p. 124316, 2012.

• DOS SANTOS, RICARDO P. ; MACHADO, LEONARDO D. ; LEGOAS, SERGIO B. ; Galvao, Douglas S. . Tribological Properties of Graphene and Boron-Nitride Layers: A Fully Atomistic Molecular Dynamics Study. MRS Proceedings , v. 1407, p. mrsf11-1407-aa10-44, 2012.

• AUTRETO, PEDRO A. ; LAGOS, MAUREEN J. ; UGARTE, DANIEL ; Galvao, Douglas S. . Correlation Between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts. MRS Proceedings , v. 1429, p. 1429-d01-03, 2012.

• DOS SANTOS, RICARDO P. ; AUTRETO, PEDRO A. ; Perim, Eric ; BRUNETTO, GUSTAVO ; Galvao, Douglas S. . On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations. MRS Proceedings , v. 1451, p. 3-8, 2012.

• Perim, Eric ; FONSECA, ALEXANDRE F. ; GALVÃO, DOUGLAS S. . When Small is Different: The Case of Membranes Inside Tubes. MRS Proceedings , v. 1451, p. 15-20, 2012.

• Legoas, S. B. ; dos Santos, R. P. B. ; TROCHE, K. S. ; Coluci, V. R. ; Galvao, Douglas S. . On the Existence of Ordered Phases of Encapsulated Diamondoids into Carbon Nanotubes. MRS Proceedings , v. 1407, p. 1407-aa05-69, 2012.

• MACHADO, LEONARDO D. ; LEGOAS, SERGIO B. ; GALVÃO, DOUGLAS S. . Multi-Million Fully Atomistic Molecular Dynamics Simulations of Yarn Formation from Carbon Nanotube Forests. MRS Proceedings , v. 1407, p. mrsf11-1407-aa15-95, 2012.

• Autreto, P. ; Lagos, M. ; Sato, F. ; Bettini, J. ; Rocha, A. ; Rodrigues, V. ; Ugarte, D. ; Galvao, D. . Intrinsic Stability of the Smallest Possible Silver Nanotube. Physical Review Letters (Print) , v. 106, p. 065501, 2011.

• Lagos, M. ; Sato, F. ; Galvão, D. ; Ugarte, D. . Mechanical Deformation of Nanoscale Metal Rods: When Size and Shape Matter. Physical Review Letters (Print) , v. 106, p. 055501, 2011.

• VASCONCELOS, M S ; AZEVEDO, DAVID L ; HADAD, A ; Galvão, D S . Electronic properties of Fibonacci and random SiâGe chains. Journal of Physics. Condensed Matter (Print) , v. 23, p. 405501, 2011.

• AZEVEDO, DAVID L. ; Sato, Fernando ; GOMES DE SOUSA FILHO, ANTONIO ; GALVÃO, DOUGLAS S. . van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study. Molecular Simulation (Online) , v. 37, p. 746-751, 2011.

• Legoas, S B ; GALVÃO, D S ; DOS SANTOS, R P B ; COLUCI, V R ; TROCHE, K S . Ordered phases of encapsulated diamondoids into carbon nanotubes. Nanotechnology (Bristol. Online) , v. 22, p. 315708, 2011.

• Lagos, M J ; Legoas, S B ; GALVAO, D S ; Ugarte, D ; Autreto, P A S ; Rodrigues, V ; Sato, F . Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires. Nanotechnology (Bristol. Online) , v. 22, p. 095705, 2011.

• BRUNETTO, GUSTAVO ; Sato, Fernando ; BOUJU, XAVIER ; Galvao, Douglas S. . The First Molecular Wheel: A Theoretical Investigation. MRS Proceedings , v. 1286, p. 1286-e11-44, 2011.

• BRUNETTO, GUSTAVO ; LEGOAS, SERGIO B. ; COLUCI, VITOR R. ; LUCENA, LIACIR S. ; Galvao, Douglas S. . Dynamics of Graphene Nanodrums. MRS Proceedings , v. 1284, p. 1, 2011.

• COUTINHO, SAMIR S. ; AZEVEDO, DAVID L. ; GALVÃO, DOUGLAS S. . Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.. MRS Proceedings , v. 1307, p. 1307-cc06-10, 2011.

• SANTOS, RICARDO P. B. ; AUTRETO, PEDRO A. S. ; LEGOAS, SERGIO B. ; Galvao, Douglas S. . The Dynamics of Formation of Graphane-like Fluorinated Graphene Membranes (Fluorographene): A Reactive Molecular Dynamics Study. MRS Proceedings , v. 1344, p. 1344-y10-12, 2011.

• Perim, Eric ; Galvao, Douglas S. . Stability and Dynamics of Boron Nitride Nanoscrolls. MRS Proceedings , v. 1307, p. 1307-cc05-04, 2011.

• MACHADO, LEONARDO D. ; LEGOAS, SERGIO B. ; SOARES, JAQUELINE S. ; SHADMI, NITZAN ; JORIO, ADO ; JOSELEVICH, ERNESTO ; Galvao, Douglas S. . On the Formation of Carbon Nanotube Serpentines: Insights from Multi-Million Atom Molecular Dynamics Simulation. MRS Proceedings , v. 1284, p. 1, 2011.

• CAMILO, A. ; Coluci, V. R. ; DOS SANTOS, R. P.B. ; GALVÃO, D. S. . Comparative parametric method 6 (PM6) and Recife model 1 (RM1) study of. Molecular Simulation (Online) , v. 38, p. 1-7, 2011.

• Martins, B V C ; GALVÃO, D. S. . Curved graphene nanoribbons: structure and dynamics of carbon nanobelts. Nanotechnology (Bristol) , v. 21, p. 075710, 2010.

• Sato, F. ; Legoas, S. B. ; Otero, R. ; Hu?mmelink, F. ; Thostrup, P. ; Lgsgaard, E. ; Stensgaard, I. ; Besenbacher, F. ; GALVÃO, D. S. . Adsorption configuration effects on the surface diffusion of large organic molecules: The case of Violet Lander. The Journal of Chemical Physics , v. 133, p. 224702, 2010.

• Moreira, E. ; Lemos, V. ; GALVÃO, D. S. ; Azevedo, D. L. . ?-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study. Molecular Simulation (Print) , v. 36, p. 1031-1034, 2010.

• Autreto, P. A. S. ; Legoas, S. B. ; Flores, M. Z. S. ; Galvao, D. S. . Carbon nanotube with square cross-section: An ab initio investigation. The Journal of Chemical Physics , v. 133, p. 124513, 2010.

• Coluci, V. R. ; dos Santos, R. P. B. ; GALVÃO, D. S. . Topologically Closed Macromolecules Made of Single Walled Carbon Nanotubes'Super'-Fullerenes. Journal of Nanoscience and Nanotechnology (Print) , v. 10, p. 4378-4383, 2010.

• Garcez, Karl ; Moreira, Edvan ; Azevedo, David ; Galvao, Douglas . Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation. Molecular Simulation (Print) , v. 36, p. 639-643, 2010.

• Lagos, M J ; Sato, F ; Autreto, P A S ; Galvão, D S ; Rodrigues, V ; Ugarte, D . Temperature effects on the atomic arrangement and conductance of atomic-size gold nanowires generated by mechanical stretching. Nanotechnology (Bristol. Print) , v. 21, p. 485702, 2010.

• GALVÃO, D. S. ; Lagos, M. J. ; Fernando Sato ; J. Bettini ; Rodrigues V ; Ugarte D . Observation of the smallest metal nanotube with a square cross-section. Nature Nanotechnology (Print) , v. 4, p. 149-152, 2009.

• Caetano, E. W. S. ; Freire,, V. N. ; dos Santos, S. G. ; ALBUQUERQUE, E. L. ; Sato, F. ; GALVÃO, D. S. . Defects in Graphene-Based Twisted Nanoribbons: Structural, Electronic, and Optical Properties. Langmuir , v. 25, p. 4751-4759, 2009.

• Perim, Eric ; GALVÃO, D. S. . The structure and dynamics of boron nitride nanoscrolls. Nanotechnology (Bristol) , v. 20, p. 335702, 2009.

• Rocha, Tu?lio C. R. ; Sato, Fernando ; Dantas, So?crates O. ; GALVÃO, D. S. ; Zanchet, Daniela . New Insights on the Growth of Anisotropic Nanoparticles from Total Energy Calculations. Journal of physical chemistry. C , v. 113, p. 11976-11979, 2009.

• Coluci, V. R. ; Timo?teo, V. S. ; GALVÃO, D. S. . Thermophoretically driven carbon nanotube oscillators. Applied Physics Letters , v. 95, p. 253103, 2009.

• Flores, M Z S ; Autreto, P A S ; Legoas, S B ; GALVÃO, D. S. . Graphene to graphane: a theoretical study. Nanotechnology (Bristol) , v. 20, p. 465704, 2009.

• dos Santos, S G ; Pires, M S ; Lemos, V ; Freire, V N ; Caetano, E W S ; Sato, F ; Albuquerque, E L ; GALVÃO, D. S. . C 60 -derived nanobaskets: stability, vibrational signatures, and molecular trapping. Nanotechnology (Bristol) , v. 20, p. 395701, 2009.

• GALVÃO, D. S. ; B. V. C. Martins ; G. Brunetto ; Fernando Sato ; Coluci VR . Designing conducting polymers using bioinspired ant algorithms. Chemical Physics Letters (Print) , v. 453, p. 290-295, 2008.

• GALVÃO, D. S. ; Lee, JH ; Coluci VR ; Kozlov, ME ; Zhang, M ; DANTAS, S. O. ; BAUGHMAN, R. H. . Sign Change of Poisson's Ratio for Carbon Nanotube Sheets. Science (New York, N.Y.) , v. 320, p. 504-507, 2008.

• GALVÃO, D. S. ; Coluci VR ; Fonseca, AF ; Daraio, C . Entanglement and the Nonlinear Elastic Behavior of Forests of Coiled Carbon Nanotubes. Physical Review Letters (Print) , v. 100, p. 086807, 2008.

• GALVÃO, D. S. ; Caetano, EWS ; Freire, VN ; dos Santos, SG ; Fernando Sato . Mo-bius and twisted graphene nanoribbons: Stability, geometry, and electronic properties. The Journal of Chemical Physics , v. 128, p. 164719, 2008.

• GALVÃO, D. S. ; Nakabayashi, D ; Moreau, ALD ; Coluci VR ; COTTA, M. A. ; Ugarte D . Carbon Nanotubes as Reinforcement Elements of Composite Nanotools. Nano Letters (Print) , v. 8, p. 842-847, 2008.

• GALVÃO, D. S. ; Riccardo Rurali ; Cartoixa, X . Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations. Physical Review. B, Condensed Matter and Materials Physics , v. 77, p. 073403, 2008.

• Coluci, V. R. ; Sato, F. ; BRAGA, S. F. ; Skaf, M. S. ; GALVÃO, D. S. . Rotational dynamics and polymerization of C[sub 60] in C[sub 60]-cubane crystals: A molecular dynamics study. Journal of Chemical Physics , v. 129, p. 064506, 2008.

• GALVÃO, D. S. ; MOREIRA, D. A. ; ALBUQUERQUE, E. L. ; SILVA, L. R. . Low-temperature specific heat spectra considering nonextensive long-range correlated quasiperiodic DNA molecules. Physica. A (Print) , v. 387, p. 5477-5482, 2008.

• COLUCI, VITOR ; Sato, Fernando ; BRAGA, SCHEILA F. ; SKAF, MUNIR S. ; GALVAO, DOUGLAS S . A Molecular Dynamics Study of the Rotational Dynamics and Polymerization of C60 in C60-Cubane Crystals. MRS Proceedings , v. 1130, p. 1130-W06-31, 2008.

• KONSTANTINOVA, ELENA ; CAMILO, ALEXANDRE ; BARONE, PAULO M.V.B. ; DANTAS, SÓCRATES O. ; GALVÃO, DOUGLAS S. . Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations. Journal of Molecular Structure. Theochem (Print) , v. 868, p. 37-41, 2008.

• COLUCI, V. ; HALL, L. ; KOZLOV, M. ; ZHANG, M. ; DANTAS, S. ; Galvão, D. ; BAUGHMAN, R. . Modeling the auxetic transition for carbon nanotube sheets. Physical Review. B, Condensed Matter and Materials Physics , v. 78, p. 115408, 2008.

• Karla S. Troche ; Coluci VR ; Riccardo Rurali ; GALVÃO, D. S. . Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes. Journal of Physics. Condensed Matter , v. 19, p. 236222, 2007.

• GALVÃO, D. S. ; BRAGA, S. F. ; Coluci VR ; BAUGHMAN, R. H. . Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study. Chemical Physics Letters (Print) , v. 441, p. 78-82, 2007.

• GALVÃO, D. S. ; BRAGA, S. F. ; Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression. Journal of Computational Chemistry , v. 28, p. 1724-1734, 2007.

• BRAGA, S. F. ; Coluci VR ; BAUGHMAN, R. H. ; GALVÃO, D. S. . Prediction of the hydrogen storage capacity of carbon nanoscrolls. Physical Review. B, Condensed Matter and Materials Physics , v. 75, p. 125404, 2007.

• GALVÃO, D. S. ; Coluci VR ; DANTAS, S. O. ; Ado Jorio . Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations. Physical Review. B, Condensed Matter and Materials Physics , v. 75, p. 075417, 2007.

• GALVÃO, D. S. ; A. F. da Fonseca ; C. P. Malta . Is it possible to grow amorphous normal nanosprings?. Nanotechnology (Bristol. Print) , v. 18, p. 435606, 2007.

• GALVÃO, D. S. ; Coluci VR ; PUGNO, N. M. ; Ado Jorio . Atomistic simulations of the mechanical properties of -super? carbon nanotubes. Nanotechnology (Bristol. Print) , v. 18, p. 335702, 2007.

• Rodrigues V ; Fernando Sato ; GALVÃO, D. S. ; Ugarte D . Size limit of defect formation in pyramidal Pt. Physical Review Letters , v. 99, p. 255501, 2007.

• Coluci VR ; GALVÃO, D. S. ; Ado Jorio . Geometric and electronic structure of carbon nanotube networks: 'super'-carbon nanotubes. Nanotechnology (Bristol) , v. 17, p. 617, 2006.

• Braga SF ; GALVÃO, D. S. . Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study. Chemical Physics Letters , v. 419, p. 394, 2006.

• A. F. da Fonseca ; C. P. Malta ; GALVÃO, D. S. . Elastic properties of nanowires. Journal of Applied Physics , v. 99, p. 09431, 2006.

• LORITE, G. S. ; Coluci VR ; SILVA, M. I. N. ; DEZIDERIO, S. N. ; GRAEFF, C. F. O. ; GALVÃO, D. S. ; COTTA, M. A. . Synthetic melanin films: Assembling mechanisms, scaling behavior, and structural properties. Journal of Applied Physics , EUA, v. 99, p. 11351, 2006.

• Riccardo Rurali ; Coluci VR ; GALVÃO, D. S. . Prediction of giant electroactuation for papyruslike carbon nanoscroll structures:. Physical Review B - Condensed Matter and Materials Physics , v. 74, p. 085414, 2006.

• Fernando Sato ; A. S. Moreira ; J. Bettini ; P. Z. Coura ; DANTAS, S. O. ; Ugarte D ; GALVÃO, D. S. . Transmission electron microscopy and molecular dynamics study of the formation of suspended copper linear atomic chains. Physical Review B - Condensed Matter and Materials Physics , v. aceito, p. xx, 2006.

• J. Bettini ; Fernando Sato ; P. Z. Coura ; DANTAS, S. O. ; GALVÃO, D. S. ; Ugarte D . Experimental realization of suspended atomic chains composed of different atomic species. Nature Nanotechnology , v. 1, p. 182, 2006.

• A. F. da Fonseca ; C. P. Malta ; GALVÃO, D. S. . Mechanical properties of amorphous nanosprings. Nanotechnology (Bristol) , v. 17, p. 5620, 2006.

• Karla S. Troche ; Coluci VR ; BRAGA, S. F. ; D. D. Chinellato ; Fernando Sato ; Legoas SB ; Riccardo Rurali ; GALVÃO, D. S. . Prediction of ordered phases of encapsulated C60, C70, and C78 inside carbon nanotubes. Nano Letters , v. 5, p. 349, 2005.

• Coluci VR ; Legoas SB ; M. A. M. de Aguiar ; GALVÃO, D. S. . Chaotic signature in the motion of coupled carbon nanotube oscillators. Nanotechnology (Bristol) , v. 16, p. 583, 2005.

• Karla S. Troche ; BRAGA, S. F. ; Coluci VR ; GALVÃO, D. S. . Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors. International Journal of Quantum Chemistry , v. 103, p. 588, 2005.

• GIRO, R. ; CALDAS, M. J. ; GALVÃO, D. S. . Band gap engineering for poly(p-phenylene) and poly(p-phenylene vinylene) copolymers using the tight-binding approach. International Journal of Quantum Chemistry , 588, v. 103, 2005.

• Elena Kostantinova ; GALVÃO, D. S. ; BARONE, P. M. ; DANTAS, S. O. . Structural and electronic properties of radialenes and related systems. Journal of Molecular Structure. Theochem , v. 729, p. 203, 2005.

• Fernando Sato ; A. S. Moreira ; P. Z. Coura ; DANTAS, S. O. ; Legoas SB ; Ugarte D ; GALVÃO, D. S. . Computer simulations of gold nanowire formation: the role of outlayer atoms (invited paper). Applied Physics. A, Materials Science & Processing , v. 81, p. 1527, 2005.

• Legoas SB ; Rodrigues V ; Ugarte D ; GALVÃO, D. S. . Comment on "Contaminants in suspended gold chains: An ab initio molecular dynamics study" - Reply. Physical Review Letters , v. 95, p. 16960, 2005.

• P. R. A. Campos ; V. M. de Oliveira ; GIRO, R. ; GALVÃO, D. S. . Comment on "Emergence of prime numbers as the result of evolutionary strategy" ? Reply. Physical Review Letters , v. 95, p. 22980, 2005.

• Legoas SB ; Coluci VR ; Braga SF ; P. Z. Coura ; DANTAS, S. O. ; GALVÃO, D. S. . Gigahertz nanomechanical oscillators based on carbon nanotubes. Nanotechnology (Bristol) , v. 15, p. S184, 2004.

• Coluci VR ; Braga SF ; Legoas SB ; GALVÃO, D. S. ; BAUGHMAN, R. H. . New families of carbon nanotubes based on graphyne motifs. Nanotechnology (Bristol) , v. 15, p. S142, 2004.

• Legoas SB ; GIRO, R. ; GALVÃO, D. S. . Molecular Dynamics of C60 nanobearings. Chemical Physics Letters , v. 386, p. 425, 2004.

• M.P.P. de Castro ; A. A. von Zuben ; N. C. Frateschi ; SANTO, L. L. E. ; GALVÃO, D. S. ; J. Bettini ; M. M. G. de Carvalho . Strong spatial beryllium doping selectivity on InGaP layers grown on pre-patterned GaAs substrates by Chemical Beam Epitaxy. Journal of Crystal Growth, v. 266, p. 429, 2004.

• Braga SF ; Coluci VR ; Legoas SB ; GIRO, R. ; GALVÃO, D. S. ; BAUGHMAN, R. H. . Structure and dynamics of nanoscrolls. Nano Letters , v. 4, p. 881, 2004.

• P. Z. Coura ; Legoas SB ; A. S. Moreira ; Fernando Sato ; Rodrigues V ; DANTAS, S. O. ; Ugarte D ; GALVÃO, D. S. . On the structural and stability features of linear atomic suspended chains formed from gold nanowires stretching. Nano Letters , v. 4, p. 1187, 2004.

• Coluci VR ; GALVÃO, D. S. ; BAUGHMAN, R. H. . Theoretical investigation of electromechanical effects for graphyne carbon nanotubes. Journal of Chemical Physics , v. 121, p. 3228, 2004.

• L. Gaffo ; O. D. D. Couto ; GIRO, R. ; M. J. S. P. Brasil ; GALVÃO, D. S. ; F. Cerdeira ; O. N. de Oliveira ; K. Wohnrath . Effects of chlorine gás exposure on the optical properties of rhodium phthalocyanine films. Solid State Communications , v. 131, p. 53, 2004.

• A. O. dos Santos ; AVANCI, L. H. ; CARDOSO, L. P. ; GIRO, R. ; Legoas SB ; GALVÃO, D. S. ; SHERWOOD, J. . Hysteresis-like behavior in MBANP crystals. Crystal growth & design, v. 4, p. 1079, 2004.

• Braga SF ; GALVÃO, D. S. . Benzo[c]quinolizin-3-onas theoretical investigarion: SAR analysis and application to non tested compounds. Journal of Chemical Information and Computer Sciences , v. 44, p. 1987, 2004.

• VENDRAME, R. ; Coluci VR ; GALVÃO, D. S. . Comparative Parametric Method 5 (PM5) study of trans-stilbene. Journal of Molecular Structure. Theochem , v. 686, p. 103, 2004.

• A. F. da Fonseca ; GALVÃO, D. S. . Mechanical properties of nanosprings. Physical Review Letters , v. 92, p. 17550, 2004.

• P. R. A. Campos ; V. M. de Oliveira ; GIRO, R. ; GALVÃO, D. S. . Emergence of prime numbers as the results of evolutionary strategy. Physical Review Letters , v. 93, p. 09810, 2004.

• Legoas SB ; Rodrigues V ; Ugarte D ; GALVÃO, D. S. . Contaminants in suspended gold chains: an ab initio molecular dynamics study. Physical Review Letters , v. 93, p. 21610, 2004.

• J.C. González ; Rodrigues V ; J. Bettini ; L. G. C. Rego ; A. R. Rocha ; P. Z. Coura ; DANTAS, S. O. ; Fernando Sato ; GALVÃO, D. S. ; Ugarte D . Indication of unusual pentagonal structures in atomic-size Cu nanowires. Physical Review Letters , v. 93, p. 12610, 2004.

• R. Otero ; F. Hummelink ; Fernando Sato ; Legoas SB ; P. Thostrup ; E. Laesgsgaard ; I. Stensgaard ; GALVÃO, D. S. ; F. Besenbacher . Lock-and-key effect in the surface diffusion of large organic molecules probed by STM. Nature Materials, v. 3, p. 779, 2004.

• Del Nero, J ; GALVÃO, D. S. ; LAKS, B. . Electronic structure investigation of biosensor polymer. Optical Materials (Amsterdam) , Estados Unidos, v. 21, n.1-3, p. 461-466, 2003.

• Legoas SB ; Coluci VR ; Braga SF ; BRAGA, S. F. ; P. Z. Coura ; DANTAS, S. O. ; GALVÃO, D. S. . Molecular-Dynamics simulations of carbon nanotubes as gigahertz oscillators. Physical Review Letters , v. 90, p. 05550, 2003.

• Braga SF ; GALVÃO, D. S. . A structure-activity study of Taxol, Taxotere and derivatives using the electronic indices methodology. Journal of Chemical Information and Computer Sciences , v. 43, p. 699, 2003.

• Coluci VR ; Braga SF ; Legoas SB ; GALVÃO, D. S. ; BAUGHMAN, R. H. . Families of carbon nanotubes: Graphyne-based nanotubes. Physical Review B - Condensed Matter and Materials Physics , USA, v. 68, n.03543, p. 03543, 2003.

• GIRO, R. ; GALVÃO, D. S. . Semi-empirical studies on the electronic structure of polyphenylene sulfide phenyleneamine (PPSA). International Journal of Quantum Chemistry , v. 95, n.3, p. 252, 2003.

• VENDRAME, R. ; Coluci VR ; BRAGA, R. S. ; GALVÃO, D. S. . Structure-activity relationship (SAR) studies of the tripos benchmark steroids. Journal of Molecular Structure. Theochem , Irlanda, v. 619, p. 195-205, 2002.

• Coluci VR ; VENDRAME, R. ; BRAGA, R. S. ; GALVÃO, D. S. . Identifying relevant molecular descriptors related to carcinogenic activity of Polycyclic Aromatic Hydrocarbons (PAHs) using pattern recognition methods. Journal of Chemical Information and Computer Sciences , Holanda, v. 42, n.6, p. 1479-1489, 2002.

• GIRO, R. ; CYRILLO, M. ; GALVÃO, D. S. . Designing conducting polymers using genetic algorithms. Chemical Physics Letters , Holanda, v. 366, n.1-2, p. 170-175, 2002.

• Braga SF ; GALVÃO, D. S. . A semiempirical study on the electronic structure of 10-deacetylbaccatin-III. Journal of Molecular Graphics & Modelling , Holanda, v. 21, n.1, p. 57-70, 2002.

• Legoas SB ; GALVÃO, D. S. ; Rodrigues V ; Ugarte D . Origin of anomalously long interatomic distances in suspended gold chains. Physical Review Letters , EUA, v. 88, n.7, 2002.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Soliton clusters inducing insulator-to-metal transition in polyacetylene: a Su-Schrieffer-Heeger model study. Synthetic Metals , EUA, v. 123, n.2, p. 211-215, 2001.

• Braga SF ; GALVÃO, D. S. ; BARONE, P. M. ; DANTAS, S. O. . A theoretical investigation on the dual-mode photoswitching mechanism of some chiroptical systems. Journal of Physical Chemistry B , EUA, v. 105, n.35, p. 8334-8338, 2001.

• VENDRAME, R. ; BRAGA, R. S. ; TAKAHATA, Y. ; GALVÃO, D. S. . Structure-carcinogenic activity relationship studies of polycyclic aromatic hydrocarbons (PAHs) with pattern-recognition methods. Journal of Molecular Structure. Theochem , Holanda, v. 539, p. 253-265, 2001.

• BRAGA, R. S. ; BARONE, P. M. ; GALVÃO, D. S. . Identifying carcinogenic activity of methylated and non-methylated polycyclic aromatic hydrocarbons (PAHs) through electronic and topological indices. Brazilian Journal of Physics , v. 30, n.3, p. 560-568, 2000.

• SANTO, L. L. E. ; DURRANT, S. F. ; RANGEL, E. ; GALVÃO, D. S. ; MORAES, M. A. B. . Semi-empirical modeling of the optical gap of amorphous hydrogenated nitrogenated carbon films. Journal of Vacuum Science and Technology. Part A. Vacuum, Surfaces and Films , v. 18, n.5, p. 2466-2471, 2000.

• BRAGA, R. S. ; VENDRAME, R. ; GALVÃO, D. S. . Structure-activity relationship studies of substituted 17 alpha-acetoxyprogesterone hormones. Journal of Chemical Information and Computer Sciences , v. 40, n.6, p. 1377-1385, 2000.

• DANTAS, S. O. ; BARONE, P. M. ; BRAGA, S. F. ; GALVÃO, D. S. . A dual-mode protoswitching mechanism and charge transfer on chiroptical systems - theoretical study. Synthetic Metals , v. 116, n.1-3, p. 275-279, 2000.

• BARONE, P. M. ; BRAGA, R. S. ; CAMILO JR, A. ; GALVÃO, D. S. . Electronic indices from semi-empirical calculations to identify carcinogenic activity of polycyclic aromatic hydrocarbons. Journal of Molecular Structure. Theochem , v. 505, p. 55-66, 2000.

• AVANCI, L. H. ; BRAGA, R. S. ; CARDOSO, L. P. ; GALVÃO, D. S. ; SHERWOOD, J. . Hysteresislike behavior in meta-nitroaniline crystals. Physical Review Letters , v. 83, n.23, p. 5146-5149, 1999.

• VENDRAME, R. ; BRAGA, R. S. ; TAKAHATA, Y. ; GALVÃO, D. S. . Structure-activity relantionship studies of carcinogenic activity of polycyclic aromatic hydrocarbons using calculated molecular descriptors with principal component analysis and neural network methods. Journal Of Chemical Information And Computer Sciences, v. 39, n.6, p. 1094-1104, 1999.

• BARONE, P. M. ; CAMILO JR, A. ; GALVÃO, D. S. . Theoretical characterization of oligocubanes. Synthetic Metals , v. 102, n.1-3, p. 1410-1410, 1999.

• BARONE, P. M. ; DANTAS, S. O. ; GALVÃO, D. S. . A dual-mode photoswitching investigation. Synthetic Metals , v. 102, n.1-3, p. 1454-1455, 1999.

• BARONE, P. M. ; DANTAS, S. O. ; GALVÃO, D. S. . A semi-empirical study on the electronic structure of elliptcines. Journal Of Molecular Structure Theochem, v. 465, n.2-3, p. 219-229, 1999.

• BRAGA, R. S. ; BARONE, P. M. ; GALVÃO, D. S. . Identifying carcinogenic activity of methylated polycyclic aromatic hydrocarbons (PAHs). Journal Of Molecular Structure Theochem, v. 464, n.1-3, p. 257-266, 1999.

• CYRILLO, M. ; GALVÃO, D. S. . Structure-activity relationship study of some inhibitors of HIV-1 integrase. Journal Of Molecular Structure Theochem, v. 464, n.1-3, p. 267-272, 1999.

• SANTO, L. L. E. ; GALVÃO, D. S. . Structure-activity study of indolequinones bioreductive alkylating agents. Journal Of Molecular Structure Theochem, v. 464, n.1-3, p. 273-279, 1999.

• MARINEZ, L. E. B. ; GALVÃO, D. S. ; CALDAS, M. J. . Geometric and spectroscopic study of some molecules related to eumelanins. 1.Monomers. Journal Of Physical Chemistry B, v. 103, n.15, p. 2993-3000, 1999.

• CYRILLO, M. ; GALVÃO, D. S. . Chem2Pac: Computational chemistry integrator. European Photochemistry Association Newsletter, v. 67, p. 31, 1999.

• CYRILLO, M. ; GALVÃO, D. S. . HyperSpin: Conformational Search add-on to Hyperchem. European Photochemistry Association Newsletter, v. 67, p. 34, 1999.

• DANTAS, S. O. ; SANTOS, M. C. ; GALVÃO, D. S. . Theoretical investigation of an all-organic molecular transistor. Synthetic Metals , v. 85, p. 1143, 1997.

• GALVÃO, D. S. ; MARINEZ, L. E. B. ; SANTOS, M. C. . On the anomalous fluorescence of substituted oligothiophenes. Synthetic Metals , v. 85, p. 1117, 1997.

• LAKS, B. ; GALVÃO, D. S. . Extended states in interacting one-dimensional disordered polymeric chains. Synthetic Metals , v. 85, p. 1125, 1997.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Insulator-to-metal transition driven by clustering of solitons in polyacetylene. Synthetic Metals , v. 85, p. 1083, 1997.

• DURRANT, S. F. ; CASTRO, S. G. ; MARINEZ, L. E. B. ; GALVÃO, D. S. ; MORAES, M. A. B. . Structural and optical properties of amorphous hydrogenated fluorinated carbon films produced by PECVD. Thin Solid Films , v. 304, p. 149, 1997.

• DURRANT, S. F. ; OLIVEIRA, R. ; CASTRO, S. G. ; MARINEZ, L. E. B. ; GALVÃO, D. S. ; MORAES, M. A. B. . Structural and optical properties of plasma-deposited amorphous hydrogenated oxygenated carbon films. Journal of Vacuum Science and Technology. Part A. Vacuum, Surfaces and Films , v. 15, p. 1334, 1997.

• GALVÃO, D. S. ; BAUGHMAN, R. H. ; CUI, C. ; DANTAS, S. O. . Hinged and chiral polydiacetylene carbon crystals. Chemical Physics Letters, v. 269, p. 356, 1997.

• LAKS, B. ; GALVÃO, D. S. . Extended states in interacting disordered polyacetylene-like chains. Physical Review B - Solid State , v. 56, p. 967, 1997.

• DANTAS, S. O. ; SANTOS, M. C. ; GALVÃO, D. S. . Theoretical characterization of an all-organic molecular transistor. Chemical Physics Letters, v. 256, p. 207, 1996.

• MARINEZ, L. E. B. ; SANTOS, M. C. ; GALVÃO, D. S. . Electronic structure of push-pull molecules based on thiophene oligomers. Journal of Physical Chemistry , v. 100, p. 11029, 1996.

• BARONE, P. M. ; CAMILO JR, A. ; GALVÃO, D. S. . Theoretical approach to identify carcinogenic activity of polycyclic aromatic hydrocarbons. Physical Review Letters , v. 77, p. 1186, 1996.

• TESCHKE, O. ; SANTOS, M. C. ; KLEINKE, M. U. ; SOARES, D. M. ; GALVÃO, D. S. . Spatially variable reaction in the formation of anodically grown porous silicon. Journal of Applied Physics , v. 78, p. 590, 1995.

• BAUGHMAN, R. H. ; GALVÃO, D. S. . Negative volumetric thermal expansion for proposed hinged phases. Chemical Physics Letters, v. 242, p. 180, 1995.

• MOTA, R. ; GALVÃO, D. S. ; DURRANT, S. F. ; MORAES, M. A. B. ; DANTAS, S. O. ; CANTÃO, M. . HMDSO plasma polymerization and thin film optical properties. Thin Solid Films , v. 270, p. 109, 1995.

• LAVARDA, F. C. ; SANTOS, M. C. ; GALVÃO, D. S. ; LAKS, B. . Insulator-to-metal transition in polythiophene. Physical Review B - Solid State , v. 49, p. 979, 1994.

• SOOS, Z. G. ; GALVÃO, D. S. . One and two-photon excitation of polythiophene: the role of conjugated heteroatoms. Journal of Physical Chemistry , v. 98, p. 1029, 1994.

• SOOS, Z. G. ; GALVÃO, D. S. ; ETEMAD, S. . Fluorescence and excited-state structure of conjugated polymers. Advanced Materials (Weinheim) , v. 6, p. 280, 1994.

• LAVARDA, F. C. ; SANTOS, M. C. ; GALVÃO, D. S. ; LAKS, B. . Resonant scattering from non-symmetric dimers: applications to substituted polianilines. Physical Review Letters , v. 73, p. 1267, 1994.

• SOOS, Z. G. ; RAMASESHA, S. ; GALVÃO, D. S. ; ETEMAD, S. . Excitation and relaxation energies of trans-stilbene: confined singlet, triplet and charged bipolarons. Physical Review B - Solid State , v. 47, p. 1742, 1993.

• GALVÃO, D. S. ; SOOS, Z. G. ; RAMASESHA, S. ; ETEMAD, S. . A parametric method 3 (PM3) study of trans-stilbene. Journal of Chemical Physics , v. 98, p. 3016, 1993.

• RAMASESHA, S. ; GALVÃO, D. S. ; SOOS, Z. G. . Exact eigenstates of Pariser-Parr-Pople model for anthracene. Journal of Physical Chemistry , v. 97, p. 2823, 1993.

• BAUGHMAN, R. H. ; GALVÃO, D. S. ; CUI, C. ; TOMÁNEK, D. . Fullereneynes: a new family of porous fullerenes. Chemical Physics Letters, v. 204, p. 8, 1993.

• SOOS, Z. G. ; RAMASESHA, S. ; GALVÃO, D. S. . Band to correlated crossover in alternating Hubbard and PPP chains: nature of the lowest singlet excitation of conjugated polymers. Physical Review Letters , v. 71, p. 1609, 1993.

• BAUGHMAN, R. H. ; GALVÃO, D. S. . Tubulanes: carbon phases based on cross-linked fullerene tubules. Chemical Physics Letters, v. 211, p. 110, 1993.

• BAUGHMAN, R. H. ; GALVÃO, D. S. . Crystalline newtorks with unusual predicted mechanical and thermal properties. Nature (London) , v. 365, p. 735, 1993.

• SOOS, Z. G. ; RAMASESHA, S. ; GALVÃO, D. S. ; KEPLER, R. ; ETEMAD, S. . Electronic excitations and alternation of conjugated polymers. Synthetic Metals , v. 54, p. 35, 1993.

• LAKS, B. ; SANTOS, D. A. ; GALVÃO, D. S. . Clustering effects in polyaniline chains. Synthetic Metals , v. 55-57, p. 4507, 1993.

• LAVARDA, F. C. ; SANTOS, M. C. ; GALVÃO, D. S. ; LAKS, B. . Disordered distribution of defects in polythiophenes. Synthetic Metals , v. 55-57, p. 4499, 1993.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Extended states in finite, one-dimensional, disordered, highly doped, trans-polyacetylene chains. Physical Review B - Solid State , v. 45, p. 3107, 1992.

• BARONE, P. M. ; SMITH, C. M. ; GALVÃO, D. S. . Numerical study of transport in a dissipative medium. Physical Review. A , v. 45, p. 3592, 1992.

• DANTAS, S. O. ; LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . An investigation of the electronic structure of the antitumor drug ellipticine and its derivatives. Part I - Geometrical AM1 study. Journal Of Molecular Structure Theochem, v. 253, p. 319, 1992.

• DANTAS, S. O. ; GALVÃO, D. S. . An investigation of the electronic structure of the antitumor drug ellipticine and its derivatives - Part II - An INDO/S study. Journal Of Molecular Structure Theochem, v. 257, p. 437, 1992.

• SOOS, Z. G. ; ETEMAD, S. ; GALVÃO, D. S. ; RAMASESHA, S. . Fluorescence and topological gap of conjugated phenylene polymers. Chemical Physics Letters, v. 194, p. 341, 1992.

• SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. ; SANTOS, M. C. . Poly(alkylthiophenes): chain conformation and thermochromism. Synthetic Metals , v. 51, p. 203, 1992.

• SANTOS, M. C. ; DANTAS, S. O. ; GALVÃO, D. S. . Theoretical studies on a Carter's soliton switch. Synthetic Metals , v. 51, p. 179, 1992.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Extended states in disordered doped polyacetylene. Synthetic Metals , v. 51, p. 169, 1992.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Electronic structure of polyacetylene with bonded oxygen. Synthetic Metals , v. 51, p. 175, 1992.

• SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. ; SANTOS, M. C. . Conformational study on alkyl-substittuted thiophene oligomers. Chemical Physics Letters, v. 184, p. 579, 1991.

• LAVARDA, F. C. ; SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. . On the disordered distribution of defects in trans-polyacetylene. Chemical Physics , v. 155, p. 1, 1991.

• SCHULZ, P. A. ; GALVÃO, D. S. ; CALDAS, M. J. . Conductivity of polymer chains: a tunneling approach. Physical Review B - Solid State , v. 44, p. 6073, 1991.

• GALVÃO, D. S. ; SANTOS, D. A. ; LAKS, B. ; SANTOS, M. C. . Effects of geometrical disorder on the electronic structure of alkyl-substituted polythiophenes. Synthetic Metals , v. 41-43, p. 3521, 1991.

• GALVÃO, D. S. ; CALDAS, M. J. . Theoretical investigation of model-polymers for eumelanins. I-finite and infinite polymers. Journal of Chemical Physics , EUA, v. 92, p. 2630, 1990.

• GALVÃO, D. S. ; CALDAS, M. J. . Theoretical investigation of model-polymers for eumalanins. II - isolated defects. Journal of Chemical Physics , v. 93, p. 2848, 1990.

• SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. . Effects of protonic doping on the electronic structure of poly (p-phenylene-co-2,5,pirazine). Solid State Communications , v. 74, p. 215, 1990.

• SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. ; DEZOTTI, M. C. W. ; DEPAOLI, M. A. . Poly(p-phenylene-co-,2,5,pirazine): an AM1 investigation. Chemical Physics , v. 114, p. 103, 1990.

• GALVÃO, D. S. ; SANTOS, D. A. ; LAKS, B. ; MELO, C. P. ; CALDAS, M. J. . Reply - The role of disorder in the conduction mechanism of polyanilines. Physical Review Letters , v. 65, p. 527, 1990.

• GALVÃO, D. S. ; SANTOS, D. A. ; LAKS, B. ; MELO, C. P. ; CALDAS, M. J. . The role of disorder in the conduction mechanism of polyanilines. Physical Review Letters , EUA, v. 63, p. 786-789, 1989.

• GALVÃO, D. S. ; CALDAS, M. J. . Polymerization of 5,6,indolequinone: a view into the band structure of melanins. Journal of Chemical Physics , EUA, v. 88, p. 4088-4091, 1988.

• VÁRIOS (Org.) ; GALVÃO, D. S. (Org.) . Guia de laboratório para física aplicada. Natal: CETENE, 1978.

• OWUOR, PETER S. ; OZDEN, SEHMUS ; GALVÃO, D. S. ; TIWARY, CHANDRA S. . Interface chemistry of atomic-scale structures for building bioinspired 3D light-weight and porous architectures. In: Ajit K. Roy. (Org.). Hybrid Atomic-Scale Interface Design for Materials Functionality. 1ed.New York: Elsevier, 2021, v. 2021, p. 115-141.

• Flores, M. Z. S. ; Sato, Fernando ; GALVÃO, D. S. . Structural and Electronic Properties of a Buckycatcher. In: 2008 Fall Meeting Materials Research Society Symposia, 2009, Boston. Materials Research Society Symposia Proceedings, 2009. v. 1130. p. 1130-W06-24.

• Autreto, P. A. S. ; Vasconcelos, C. K. ; Flores, M. Z. S. ; GALVÃO, D. S. ; BIANCHI, R. R. . MEH-PPV Based Blue-light Dosimeter for Hyperbilirubinemia Treatment. In: 2008 Fall Meeting Materials Research Society Symposia, 2009, Boston. Materials Research Society Symposia Proceedings, 2008. v. 1133. p. 1133-AA07-14.

• Coluci VR ; Sato, Fernando ; BRAGA, S. F. ; Skaf, M. S. ; GALVÃO, D. S. . A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60- cubane crystals. In: 2008 Fall Meeting Materials Research Society Symposia, 2009, Boston. Materials Research Society Symposia Proceedings, 2009. v. 1130. p. 1130-W06-31.

• Autreto, P. A. S. ; Sato, Fernando ; Lagos, M. J. ; P. Z. Coura ; DANTAS, S. O. ; Rodrigues V ; Ugarte D ; GALVÃO, D. S. . Structural Study of the Formation of Suspended Linear Atomic Chains from Platinum Nanowires Stretching. In: 2008 Fall Meeting Materials Research Society Symposia, 2009, Boston. Materials Research Society Symposium Proceedings, 2008. v. 1137. p. 1137-EE09-08-W1.

• Coluci VR ; Fonseca, AF ; GALVÃO, D. S. ; Daraio, C . Entanglement and the Nonlinear Elastic Behavior of Forests of Coiled Carbon Nanotubes. In: 2008 Spring Meeting Materials Research Society Symposia, 2008, San Francisco. Materials Research Society Symposium Proceedings, 2008. v. 1081. p. 1081-P08-24.

• Coluci VR ; DANTAS, S. O. ; Ado Jorio ; GALVÃO, D. S. . Electronic and Mechanical Properties of Super Carbon Nanotube Networks. In: 2006 Fall Meeting Materials Research Society Symposia, 2007, Boston. Materials Research Society Symposium Proceedings, 2006. v. 963. p. 0963-Q15-07.

• A. F. da Fonseca ; C. P. Malta ; GALVÃO, D. S. . Elastic Properties of Normal and Binormal Helical Nanowires. In: 2006 Fall Meeting Materials Research Society Symposia, 2007, Boston. Materials Research Society Symposium Proceedings, 2006. v. 953. p. 0963-Q20-27.

• A. F. da Fonseca ; GALVÃO, D. S. ; C. P. Malta . Binormal nanohelices. In: 2005 Fall Meeting Materials Research Society Symposia, 2006, Boston. Materials Research Society Symposium Proceedings, 2006. v. 903. p. 0903-Z14-33.1.

• Coluci VR ; BRAGA, S. F. ; BAUGHMAN, R. H. ; GALVÃO, D. S. . Hydrogen Storage in Carbon Nanoscrolls: A Molecular Dynamics Study. In: 2005 Fall Meeting Materials Research Society Symposia, 2006, Boston. 2005 Fall Meeting Materials Research Society Symposia, 2005. v. 885. p. 0885-A06-07.1.

• GALVÃO, D. S. ; BRAGA, S. F. ; BARONE, P. M. ; DANTAS, S. O. . DUAL-MODE OPTICAL MOLECULAR SWITCHING SYSTEMS FOR ORGANIC MEMORIES. In: 2001 Fall Meeting Materials Research Society Symposia, 2002, Boston. Materials Research Society Symposia Proceedings, 2002. v. 708. p. BB10.27.1.

• GALVÃO, D. S. ; LAKS, B. ; SILVA, R. R. ; TORRES, J. H. S. ; KOPELEVITCH, Y. . HIGH-TEMPERATURE SUPERCONDUCTIVITY IN GRAPHITE-SULFUR COMPOSITES: THEORETICAL ANALYSIS. In: 2001 Fall Meeting Materials Research Society Symposia, 2002, Boston. Materials Research Society Symposia Proceedings, 2002. v. 689. p. E5.2.1.

• GIRO, R. ; CYRILLO, M. ; GALVÃO, D. S. . Designing Conducting Polymers with Genetic Algorithms. In: 2001 Fall Meeting Materials Research Society Symposia, 2002, Boston. Materials Research Society Symposia Proceedings, 2001. v. 700. p. S8.6.1.

• SANTOS, M. C. ; GALVÃO, D. S. ; TESCHKE, O. ; SOARES, D. M. . Spatially variable reaction in the formation of anadically grown porous silicon structures. In: SPIE'95, 1995, San Diego - USA. SPIE'95, 1995. v. 2528.

• SANTOS, M. C. ; MARINEZ, L. E. B. ; GALVÃO, D. S. . Theoretical study of push-pull molecules based on thiophene oligomers. In: SPIE'95, 1995, San Diego - USA. SPIE'95, 1995. v. 2528. p. 135.

• CAMILO JR, A. ; GALVÃO, D. S. . Efeitos de localização eletrônica em polianilina contendo flúor. In: III Congesso Brasileiro de Polímeros, 1995, Rio de Janeiro. Anais do III Congresso Brasileiro de Polímeros, 1995. p. 1239.

• CAMILO JR, A. ; GALVÃO, D. S. . Investigação teórica de oligômeros de poli(p-fenileno vinileno) - PPV. In: III Congresso Brasileiro de Polímeros, 1995, Rio de Janeiro - RJ. Anais do III Congresso Brasileiro de Polímeros, 1995. p. 984.

• MARINEZ, L. E. B. ; GALVÃO, D. S. ; CALDAS, M. J. . Estudo da estrutura eletrônica de monômeros de eumelanina. In: III Congresso Brasileiro de Polímeros, 1995, Rio de Janeiro - RJ. Anais do III Congresso Brasileiro de Polímeros, 1995. p. 968.

• SOOS, Z. G. ; GALVÃO, D. S. ; ETEMAD, S. ; KEPLER, R. . Conjugated polymer fluorescence: interplay of correlations and alternations. In: Material Research Society Meeting, 1994, Boston. Proc. Material Research Society Meeting, 1993. v. 328. p. 383.

• SOOS, Z. G. ; GALVÃO, D. S. ; ETEMAD, S. . Polymer fluorescence: even-parity states, alternation and heteroatoms. In: SPIE'94, 1994, Los Angeles - USA. Proc. SPIE, 1994.

• SOOS, Z. G. ; GALVÃO, D. S. ; RAMASESHA, S. ; ETEMAD, S. . Photophysics of light-emitting conjugated polymers. In: SPIE'93, 1993, Los Angeles , USA. SPIE, 1993. v. 1852. p. 274.

• SOOS, Z. G. ; RAMASESHA, S. ; GALVÃO, D. S. ; KEPLER, R. . Energy thresholds in polysilanes: elementary excitations of alternating conjugated chains. In: International Conference on Strongly Correlated Systems, 1993, Bangalore - Índia. Proc. Int. Conf. Strong. Corr. Syst., 1993. p. 324.

• GALVÃO, D. S. ; CALDAS, M. J. . Edge states as intrinsic deep defects in organic semiconductors. In: 5th Brazilian School on Semiconductor Physics, 1992, Águas de Lindóia - SP. Proc. 5th Brazilian School on Semiconductor Physics. Singapore: World Scientific, 1991. p. 546.

• LAVARDA, F. C. ; SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. . The electronic modifications induced by disordered distribution of defects in trans-polyacetylene. In: I Congresso Brasileiro de Polímeros, 1991, São Paulo - SP. Anais do I Congresso Brasileiro de Polímeros, 1991. p. 875-880.

• LAVARDA, F. C. ; GALVÃO, D. S. ; LAKS, B. . Electronic structure of polyacetylene with bonded oxygen. In: I Congresso Brasileiro de Polímeros, 1991, São Paulo - SP. Anais do I Congresso Brasileiro de Polímeros, 1991. p. 856-859.

• GALVÃO, D. S. ; CALDAS, M. J. . Edge states as intrinsic defects in organic semiconductors. In: I Congresso Brasileiro de Polímeros, 1991, São Paulo - SP. Anais I Congresso Brasileiro de Polímeros, 1991. p. 76-79.

• DANTAS, S. O. ; LAVARDA, F. C. ; SANTOS, D. A. ; GALVÃO, D. S. ; LAKS, B. . Preliminary investigation on the electronic structure of antitumor drug ellipticine and their derivatives. In: V Latin American Conference on Medical Physics, 1990, Ribeirão Preto, SP, Brasil. Revista Brasileira de Engenharia, 1990. v. 7. p. 254.

• GALVÃO, D. S. ; CALDAS, M. J. . Melanins and Parkinson's disease. In: V Latin American Conference on Medical Physics, 1990, Ribeirão Preto. Revista Brasileira de Engenharia, 1990. v. 7. p. 254.

• MALVIYA, KIRTIMAN DEO ; OLIVEIRA, ELIEZER FERNANDO ; AUTRETO, PEDRO ALVES DA SILVA ; AJAYAN, PULICKEL M ; GALVAO, DOUGLAS S ; TIWARY, CHANDRA SEKHAR ; CHATTOPADHYAY, KAMANIO . Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study. JOURNAL OF PHYSICS D-APPLIED PHYSICS , 2019.

• GALVÃO, D. S. . Da Matemática Pura a Materiais Funcionais: O Caso das Schwarzitas. 2019. (Apresentação de Trabalho/Seminário).

• GALVÃO, D. S. . Simulando a Natureza: de Nanotubos a Formigas. 2019. (Apresentação de Trabalho/Seminário).

• SOLIS, DANIEL ; BORGES, DAIANE D. ; WOELLNER, CRISTANO F. ; GALVÃO, DOUGLAS S. . Structural and Mechanical Properties of Scrolled 2D Carbon-based Graphyne and Graphdiyne Structures. 2019. (Apresentação de Trabalho/Congresso).

• SAJADI, SEYED MOHAMMAD ; OWUOR, P.S. ; SCHARA, STEVEN ; FELIX, L. C. ; WOELLNER, C. F. ; Rodrigues, V. ; VAJTAI, ROBERT ; LOU, JUN ; TIWARY, C. S. ; AJAYAN, P. M. ; GALVÃO, DOUGLAS S. . Mechanical Properties of Schwarzites: From atomic models to 3D Printed Structures (invited lecture). 2019. (Apresentação de Trabalho/Congresso).

• GALVÃO, DOUGLAS S. . Simulating Nature: From Nanotubes to Ants. 2019. (Apresentação de Trabalho/Seminário).

• GALVÃO, DOUGLAS S. . From Pure Mathematics to Functional Materials: The Case of Schwarzites. 2019. (Apresentação de Trabalho/Seminário).

• Galvao, Douglas S. . Simulando a Natureza: de Nanotubos a Formigas (Palestra Convidada). 2019. (Apresentação de Trabalho/Congresso).

• Galvao, Douglas S. . New 2D Materials From Non-van der Waals Solids (invited lecture). 2019. (Apresentação de Trabalho/Congresso).

• GALVAO, D S . New 2D Materials From Non-van der Waals Solids (invited lecture). 2019. (Apresentação de Trabalho/Congresso).

• Galvao, Douglas S. . Revolução Tecnológica: grafeno e inteligência artificial. 2019. (Apresentação de Trabalho/Outra).

• Galvão, D S . Simulando a Natureza. 2017. (Apresentação de Trabalho/Conferência ou palestra).

• Galvão, D S . Simulando a Natureza; de Nanotubos a Formigas. 2017. (Apresentação de Trabalho/Seminário).

• Galvao, D. S. . Nanoestruturas com Propriedades Funcionais: Abordagem Multiescala. 2016. (Apresentação de Trabalho/Seminário).

• Galvão, D S . Nanoestruturas com Propriedades Funcionais: uma abordagem multi-escala. 2016. (Apresentação de Trabalho/Seminário).

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