Effect of Contaminants on Wettability Properties of 2D Materials

• Grant number: 16/12341-5
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• 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: Ygor Morais Jaques
• 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: 13/24500-2 - Structural and Dynamical Properties of Nanodroplets, BP.DR

Abstract

The synthesis of graphene, an atom thick material with outstanding properties, triggered the renewed search for other layered materials, giving rise to the so-called 2D materials area. Although many of graphene properties are well understood, its wettability has been object of discussions due to conflicting data reported in the last years, with contamination by hydrocarbons being argued to be a main cause of this apparent conflict about how liquids behave on its surface. In recent years others 2D materials besides graphene have been of object of a large number of theoretical and experimental works. In this project we intend to study through fully atomistic simulations, the effects of molecular contaminations on the wettability of several 2D systems, such as; graphdiyne, hexagonal boron-nitride and molybdenium disulfide. We will use a multi-scale approach combining classical and quantum molecular dynamics methods.

Scientific publications

(7)

(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)

PARK, OK-KYUNG; OWUOR, PETER SAMORA; JAQUES, YGOR MORAIS; GALVAO, DOUGLAS SOARES; KIM, NAM HOON; LEE, JOONG HEE; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Hexagonal boron nitride-carbon nanotube hybrid network structure for enhanced thermal, mechanical and electrical properties of polyimide nanocomposites. COMPOSITES SCIENCE AND TECHNOLOGY, v. 188, 2020. (16/12341-5, 13/08293-7)

SUSARLA, SANDHYA; MANIMUNDA, PRAVEENA; JAQUES, YGOR MORAIS; HACHTEL, JORDAN A.; IDROBO, JUAN CARLOS; AMNULLA, SYED ASIF SYED; GALVAO, DOUGLAS SOARES; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces. ACS NANO, v. 12, n. 4, p. 4036-4044, APR 2018. (13/08293-7, 16/12341-5)

SUSARLA, SANDHYA; MANIMUNDA, PRAVEENA; JAQUES, YGOR M.; HACHTEL, JORDAN A.; IDROBO, JUAN C.; ASIF, S. A. SYED; GALVAO, DOUGLAS S.; TIWARY, CHANDRA SEKHAR; AJAYAN, PULICKEL M.. Strain-Induced Structural Deformation Study of 2D MoxW(1-x) S-2. ADVANCED MATERIALS INTERFACES, v. 6, n. 5, MAR 8 2019. (16/12341-5, 13/08293-7)

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)

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, n. 18, p. 8840-8850, MAY 14 2018. (13/08293-7, 16/12341-5)

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)