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Theoretical investigations on growth and fracture mechanisms of graphene-based nanostructures

Grant number: 14/24547-1
Support type:Scholarships in Brazil - Post-Doctorate
Effective date (Start): March 01, 2015
Effective date (End): June 19, 2018
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Cooperation agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal researcher:Douglas Soares Galvão
Grantee:Cristiano Francisco Woellner
Home Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:13/08293-7 - CCES - Center for Computational Engineering and Sciences, AP.CEPID
Associated scholarship(s):16/12340-9 - Structural and mechanical properties of carbon-based foams, BE.EP.PD

Abstract

In this project we intend to investigate the structural and mechanical properties of graphene-based nanostructures with negative curvatures (Schwarzites). We will also investigate the origin of the asymetric cuts produced by metalic nanoparticles on graphene membranes and on the growth mechanisms of graphene in the presence of oxygen atoms from chemical vapor deposition experiments. In order to carry out these studies we will ab initio and molecular dynamics simulations with classical and reactive potentials. (AU)

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Scientific publications (14)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
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, . (14/24547-1, 16/18499-0, 13/08293-7)
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.; et al. Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt. Journal of Materials Science, v. 53, n. 14, p. 10049-10058, . (15/14703-9, 14/11410-8, 16/00023-9, 10/13033-6, 14/24547-1, 12/01484-9)
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, n. 7, p. 4911-4916, . (14/24547-1, 13/08293-7)
SPLUGUES, VINICIUS; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S.. Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes. MRS ADVANCES, v. 2, n. 29, p. 1571-1576, . (13/08293-7, 14/24547-1)
WOELLNER, CRISTIANO F.; OWUOR, PETER S.; LI, TONG; VINOD, SOUNLYA; OZDEN, SEHMUS; KOSOLWATTANA, SUPPANAT; BHOWMICK, SANJIT; DUY, LUONG X.; SALVATIERRA, RODRIGO V.; WEI, BINGQING; et al. Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams. MRS ADVANCES, v. 3, n. 1-2, p. 61-66, . (13/08293-7, 14/24547-1)
OLIVEIRA, ELIEZER FERNANDO; DA SILVA AUTRETO, PEDRO ALVES; 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, . (14/24547-1, 16/18499-0, 13/08293-7)
WOELLNER, CRISTIANO F.; BOTARI, TIAGO; PERIM, ERIC; GALVAO, DOUGLAS S.. Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation. MRS ADVANCES, v. 3, n. 8-9, p. 448-453, . (14/24547-1, 13/08293-7)
SOLIS, DANIEL A.; BORGES, DAIANE D.; WOELLNER, CRISTIANO F.; GALVAO, DOUGLAS S.. Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures. ACS APPLIED MATERIALS & INTERFACES, v. 11, n. 3, p. 2670-2676, . (13/08293-7, 15/14703-9, 14/24547-1)
DE SOUSA, JOSE MOREIRA; MACHADO, LEONARDO DANTAS; WOELLNER, CRISTIANO FRANCISCO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S.. Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation. MRS ADVANCES, v. 1, n. 20, p. 1423-1428, . (13/08293-7, 14/24547-1)
WOELLNER, CRISTIANO FRANCISCO; DA SILVA AUTRETO, PEDRO ALVES; GALVAO, DOUGLAS S.. One Side-Graphene Hydrogenation (Graphone): Substrate Effects. MRS ADVANCES, v. 1, n. 20, p. 1429-1434, . (13/08293-7, 14/24547-1)
WOELLNER, CRISTIANO F.; FREIRE, JOSE A.. Impact of the intermixed phase and the channel network on the carrier mobility of nanostructured solar cells. Journal of Chemical Physics, v. 144, n. 8, . (13/08293-7, 14/24547-1)
CHAKRAVARTY, DIBYENDU; TIWARY, CHANDRA SEKHAR; WOELLNER, CRISTANO F.; RADHAKRISHNAN, SRUTHI; VINOD, SOUMYA; OZDEN, SEHMUS; DA SILVA AUTRETO, PEDRO ALVES; BHOWMICK, SANJIT; ASIF, SYED; MANI, SENDURAI A.; et al. 3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants. Advanced Materials, v. 28, n. 40, p. 8959-8967, . (14/24547-1, 13/08293-7)
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; et al. Liquid Exfoliation of Icosahedral Quasicrystals. ADVANCED FUNCTIONAL MATERIALS, v. 28, n. 26, . (13/08293-7, 14/24547-1)
BORGES, DAIANE DAMASCENO; WOELLNER, CRISTIANO F.; AUTRETO, PEDRO A. S.; GALVAO, DOUGLAS S.. Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: Entropic versus enthalpic factors. Carbon, v. 127, p. 280-286, . (13/08293-7, 15/14703-9, 14/24547-1)

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