| Grant number: | 16/12341-5 |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate |
| Effective date (Start): | September 15, 2016 |
| Effective date (End): | 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 |
| Research place: | 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. | |
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