Structural and mechanical properties of carbon-based foams

• Grant number: 16/12340-9
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor
• Start date: September 15, 2016
• End date: September 14, 2017
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Douglas Soares Galvão
• Grantee: Cristiano Francisco Woellner
• Supervisor: Pulickel M. Ajayan
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: Rice University, United States
• Associated to the scholarship: 14/24547-1 - Theoretical investigations on growth and fracture mechanisms of graphene-based nanostructures, BP.PD

Abstract

Growth of layered (2D) materials has attracted great attention over the last decade due to their importance either in fundamental science as well as in technological applications. The most well-studied 2D material is graphene, owing to its remarkable and unique electronic, thermal and mechanical properties. Furthermore, as carbon atoms can have three different hybridizations, it is possible to build a large family of graphene allotropes. In order to extend the application of graphene (and its allotropes) in nanotechnology, it is necessary to develop methods to controllably build up 3D architectures exploiting the distinct characteristics of its building blocks. In this project, we intend to carry out extensive reactive molecular dynamics simulations in order to develop and build models able to mimic the structural and mechanical properties of 3D carbon-based foams (i.e. highly porous materials) using graphene, and graphenylene as building blocks. The theoretical results will be compared to the experimental ones from the Nanomaterials Laboratory at Rice University, led by Prof. Pulickel M. Ajayan. The validated models will be helpful in design new architectures of 3D carbon-based foams.

Scientific publications

(15)

(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)

GAUTAM, CHANDKIRAM; CHAKRAVARTY, DIBYENDU; GAUTAM, AMARENDRA; TIWARY, CHANDRA SEKHAR; WOELLNER, CRISTIANO FRANCISCO; MISHRA, VIJAY KUMAR; AHMAD, NASEER; OZDEN, SEHMUS; JOSE, SUJIN; BIRADAR, SANTOSHKUMAR; et al. Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications. ACS OMEGA, v. 3, n. 6, p. 6013-6021, JUN 2018. (16/12340-9, 13/08293-7)

SAJADI, SEYED MOHAMMAD; OWUOR, PETER SAMORA; SCHARA, STEVEN; WOELLNER, CRISTIANO F.; RODRIGUES, VARLEI; VAJTAI, ROBERT; LOU, JUN; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Multiscale Geometric Design Principles Applied to 3D Printed Schwarzites. Advanced Materials, v. 30, n. 1, JAN 4 2018. (13/08293-7, 16/12340-9)

OWUOR, PETER SAMORA; WOELLNER, CRISTIANO F.; LI, TONG; VINOD, SOUMYA; OZDEN, SEHMUS; KOSOLWATTANA, SUPPANAT; BHOWMICK, SANJIT; DUY, LUONG XUAN; SALVATIERRA, RODRIGO V.; WEI, BINGQING; et al. High Toughness in Ultralow Density Graphene Oxide Foam. ADVANCED MATERIALS INTERFACES, v. 4, n. 10, MAY 23 2017. (13/08293-7, 16/12340-9)

SHARIFI, TIVA; ZHANG, XIANG; COSTIN, GELU; YAZDI, SADEGH; WOELLNER, CRISTIANO F.; LIU, YANG; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL. Thermoelectricity Enhanced Electrocatalysis. Nano Letters, v. 17, n. 12, p. 7908-7913, DEC 2017. (13/08293-7, 16/12340-9)

RIBEIRO, HELIO; TRIGUEIRO, JOAO P. C.; OWUOR, PETER S.; MACHADO, LEONARDO D.; WOELLNER, CRISTIANO F.; PEDROTTI, JAIRO J.; JAQUES, YGOR M.; KOSOLWATTANA, SUPPANAT; CHIPARA, ALIN; SILVA, WELLINGTON M.; et al. Hybrid 2D nanostructures for mechanical reinforcement and thermal conductivity enhancement in polymer composites. COMPOSITES SCIENCE AND TECHNOLOGY, v. 159, p. 103-110, MAY 3 2018. (13/08293-7, 16/12340-9)

BALAN, ARAVIND PUTHIRATH; RADHAKRISHNAN, SRUTHI; WOELLNER, CRISTIANO F.; SINHA, SHYAM K.; DENG, LIANGZI; DE LOS REYES, CARLOS; RAO, BANKI MANMADHA; PAULOSE, MAGGIE; NEUPANE, RAM; APTE, AMEY; et al. Exfoliation of a non-van der Waals material from iron ore hematite. NATURE NANOTECHNOLOGY, v. 13, n. 7, p. 602+, JUL 2018. (13/08293-7, 16/12340-9)

SOLIS, DANIEL; WOELLNER, CRISTIANO; BORGES, DAIANE D.; GALVAO, DOUGLAS S.. Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls. MRS ADVANCES, v. 2, n. 2, p. 129-134, 2017. (13/08293-7, 16/12340-9)

RADHAKRISHNAN, SRUTHI; SUDEEP, PARAMBATH M.; PARK, JUN HYOUNG; WOELLNER, CRISTIANO F.; MALADONADO, KIERSTEIN; GALVAO, DOUGLAS S.; KAIPPARETTU, BENNY ABRAHAM; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Multifunctional Hybrids Based on 2D Fluorinated Graphene Oxide and Superparamagnetic Iron Oxide Nanoparticles. PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, v. 34, n. 11, NOV 2017. (13/08293-7, 16/12340-9)

JAQUES, Y. M.; MANIMUNDA, P.; NAKANISHI, Y.; SUSARLA, S.; WOELLNER, C. F.; BHOWMICK, S.; ASIF, S. A. S.; GALVAO, D. S.; TIWARY, C. S.; AJAYAN, P. M.. Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2. MRS ADVANCES, v. 3, n. 6-7, p. 373-378, 2018. (16/12340-9, 16/12341-5, 13/08293-7)

BORGES, DAIANE DAMASCENO; 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, n. 1-2, p. 109-114, 2018. (13/08293-7, 16/12340-9, 15/14703-9)

RIBEIRO, HELIO; TRIGUEIRO, JOAO PAULO C.; SILVA, WELLINGTON M.; WOELLNER, CRISTIANO F.; OWUOR, PETER S.; CHIPARA, ALIN CRISTIAN; LOPES, MAGNOVALDO C.; TIWARY, CHANDRA S.; PEDROTTI, JAIRO J.; SALVATIERRA, RODRIGO VILLEGAS; et al. Hybrid MoS2/h-BN Nanofillers As Synergic Heat Dissipation and Reinforcement Additives in Epoxy Nanocomposites. ACS APPLIED MATERIALS & INTERFACES, v. 11, n. 27, p. 24485-24492, JUL 10 2019. (16/12340-9)

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; et al. Consolidation of functionalized graphene at ambient temperature via mechano-chemistry. Carbon, v. 134, p. 491-499, AUG 2018. (13/08293-7, 16/12341-5, 16/12340-9)

MANIMUNDA, P.; NAKANISHI, Y.; JAQUES, Y. M.; SUSARLA, S.; WOELLNER, C. F.; BHOWMICK, S.; ASIF, S. A. S.; GALVAO, D. S.; TIWARY, C. S.; AJAYAN, P. M.. Nanoscale deformation and friction characteristics of atomically thin WSe2 and heterostructure using nanoscratch and Raman spectroscopy. 2D MATERIALS, v. 4, n. 4, DEC 2017. (13/08293-7, 16/12341-5, 16/12340-9)

OWUOR, PETER SAMORA; PARK, OK-KYUNG; WOELLNER, CRISTIANO F.; JALILOV, ALMAZ S.; SUSARLA, SANDHYA; JOYNER, JARIN; OZDEN, SEHMUS; DUY, LUONGXUAN; SALVATIERRA, RODRIGO VILLEGAS; VAJTAI, ROBERT; et al. Lightweight Hexagonal Boron Nitride Foam for CO2 Absorption. ACS NANO, v. 11, n. 9, p. 8944-8952, SEP 2017. (13/08293-7, 16/12340-9)

SOLIS, DANIEL; WOELLNER, CRISTIANO; BORGES, DAIANE D.; GALVAO, DOUGLAS S.. Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls. RS ADVANCE, v. 2, n. 2, p. 6-pg., 2017-01-01. (16/12340-9, 13/08293-7)