Valleys and hills of graphene on Ru(0001)

DOI: 10.1021/acs.jpcc.8b05671

Authors: Caio C. Silva (Westfalische Wilhelms-Universitat Munster) , Marcella Iannuzzi (Universitat Zurich) , David A. Duncan (Diamond Light Source) , Paul Ryan (Diamond Light Source; Imperial College London) , Katherine T. Clarke (Diamond Light Source) , Johannes T. Kuchle (Diamond Light Source; Technische Universitat Munchen) , Jiaqi Cai (Westfalische Wilhelms-Universitat Munster) , Wouter Jolie (Universitat zu Koln) , Christoph Schlueter (Diamond Light Source) , Tien-Lin Lee (Diamond Light Source) , Carsten Busse (Universitat Siegen; Westfalische Wilhelms-Universitat Munster; Universitat zu Koln)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry C

State: Published (Approved)
Published: July 2018
Diamond Proposal Number(s): 12558 , 16796

Abstract: The structure of graphene on Ru(0001) has been extensively studied over the last decade, yet with no general agreement. Here we analyse graphene's valleys and hills using a combination of x-ray standing waves (XSW) and density functional theory (DFT). The chemical specicity of XSW allows an independent analysis of valleys and hills which, together with DFT model, results in the precise determination of the distance between the at, strongly bonded valleys of graphene and the substrate, as well the corrugation presented in the weakly bounded hills. From the theoretical viewpoint, the good agreement with experiment validates the choices regarding the unit cell size and the non-local correlation functional.

Journal Keywords: Surface analysis; Binding energy; Layers; Two dimensional materials; Density functional theory

Subject Areas: Materials, Chemistry, Physics


Instruments: I09-Surface and Interface Structural Analysis

Added On: 23/07/2018 08:39

Discipline Tags:

Surfaces Physics Physical Chemistry Chemistry Materials Science

Technical Tags:

Diffraction X-ray Standing Wave (XSW)