Title:	Two-dimensional metals on graphene
DNr:	LiU-compute-2022-35
Project Type:	LiU Compute
Principal Investigator:	Ivan Shtepliuk <ivan.shtepliuk@liu.se>
Affiliation:	Linköpings universitet
Duration:	2022-12-01 – 2025-12-01
Classification:	10304
Keywords:

Abstract

ÅForsk Foundation has granted me a Research grant of 880 000 SEK for the project entitled "Two-dimensional Metals Supported by Epitaxial Graphene for Hydrogen Evolution Electrocatalysis" (Referensnummer: 21-112). The project roadmap is scheduled until the end of 2023. The current project aims at rational design of platunim group metal (PGM)-free electrocatalysts of hydrogen evolution reaction based on two-dimensional metals (2DM). It is proposed to utilize graphene monolayer on a silicon carbide as an atomically smooth support for the fabrication of two-dimensional metals. By applying innovative computational methods the project intends to identify and synthesize 2DM-on-graphene architectures possessing the highest electrocatalytic activity towards HER. The main part of the project is related to the theoretical work and modelling. In line with the project aims, density functional theory (DFT) and molecular dynamics (MD) investigations of the nature of the formation of 2D noble metals (Au, Ag, Pt, Pd, Ru, Os, Ir and Rh) on epitaxial graphene on SiC will be performed. Other 2D metal-based materials will be also tested. The primary aim was to deeply understand metal-graphene interrelated properties, which are important for high-performance hydrogen evolution reaction.