Structure of graphene grown on Cu(111): X-ray standing wave measurement and density functional theory prediction

DOI: 10.1103/PhysRevLett.132.196201

Authors: Matthew A. Stoodley (University of Warwick; Diamond Light Source) , Luke A. Rochford (Diamond Light Source) , Tien-Lin Lee (Diamond Light Source) , Benedikt P. Klein (University of Warwick; Diamond Light Source) , David A. Duncan (Diamond Light Source) , Reinhard J. Maurer (University of Warwick)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review Letters , VOL 132

State: Published (Approved)
Published: May 2024
Diamond Proposal Number(s): 25379

Abstract: We report the quantitative adsorption structure of pristine graphene on Cu(111) determined using the normal incidence x-ray standing wave technique. The experiments constitute an important benchmark reference for the development of density functional theory approximations able to capture long-range dispersion interactions. Electronic structure calculations based on many-body dispersion-inclusive density functional theory are able to accurately predict the absolute measure and variation of adsorption height when the coexistence of multiple moiré superstructures is considered. This provides a structural model consistent with scanning probe microscopy results.

Journal Keywords: Adsorption; First-principles calculations; Growth; Physisorption; Graphene; Metals; Surfaces; X-ray photoelectron spectroscopy; X-ray standing waves

Subject Areas: Materials, Physics


Instruments: I09-Surface and Interface Structural Analysis

Added On: 15/05/2024 09:06

Documents:
PhysRevLett.132.196201.pdf

Discipline Tags:

Hard condensed matter - electronic properties Physics Hard condensed matter - structures Materials Science

Technical Tags:

Diffraction X-ray Standing Wave (XSW)