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

• Grant number: 14/24547-1
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: March 01, 2015
• End date: June 19, 2018
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
• Principal Investigator: Douglas Soares Galvão
• Grantee: Cristiano Francisco Woellner
• Host 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)

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, JUL 2018. (10/13033-6, 16/00023-9, 12/01484-9, 14/24547-1, 15/14703-9, 14/11410-8)

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. (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, 2017. (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, 2018. (13/08293-7, 14/24547-1)

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. (14/24547-1, 16/18499-0, 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, JUN 27 2018. (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, FEB 2018. (13/08293-7, 14/24547-1, 15/14703-9)

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. (13/08293-7, 14/24547-1)

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. (13/08293-7, 14/24547-1, 15/14703-9)

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. (14/24547-1, 13/08293-7)

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. (14/24547-1, 16/18499-0, 13/08293-7)

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. (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, 2016. (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, OCT 26 2016. (14/24547-1, 13/08293-7)