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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
Cooperation agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal Investigator: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)

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, APR 15 2019. Web of Science Citations: 0.
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, JAN 23 2019. Web of Science Citations: 7.
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, NOV 2018. Web of Science Citations: 3.
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, JR., ANTONIO. 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, JUL 2018. Web of Science Citations: 6.
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. 28, n. 26 JUN 27 2018. Web of Science Citations: 2.
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, FEB 21 2018. Web of Science Citations: 3.
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, FEB 2018. Web of Science Citations: 14.
WOELLNER, CRISTIANO F.; OWUOR, PETER S.; LI, TONG; VINOD, SOUNLYA; 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; GALVAO, DOUGLAS S.; TIWARY, CHANDRA S.; AJAYAN, PULICKEL M. Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams. MRS ADVANCES, v. 3, n. 1-2, p. 61-66, 2018. Web of Science Citations: 0.
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, 2018. Web of Science Citations: 0.
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, 2017. Web of Science Citations: 0.
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.; GALVAO, DOUGLAS S.; AJAYAN, PULICKEL M. 3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants. Advanced Materials, v. 28, n. 40, p. 8959-8967, OCT 26 2016. Web of Science Citations: 19.
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 FEB 28 2016. Web of Science Citations: 2.
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, 2016. Web of Science Citations: 0.
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, 2016. Web of Science Citations: 3.

Please report errors in scientific publications list by writing to: cdi@fapesp.br.