Related Experiment Video
Updated: Oct 15, 2025

Analysis of Contact Interfaces for Single GaN Nanowire Devices
Published on: November 15, 2013
Registry-Dependent Potential for Interfaces of Gold with Graphitic Systems
Wengen Ouyang1, Oded Hod2, Roberto Guerra3
1Department of Engineering Mechanics, School of Civil Engineering, Wuhan University, Wuhan, Hubei 430072, China.
Abstract:
We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene, fullerenes, or hydrocarbon molecules. The potential is able to accurately reproduce dispersion-corrected density functional theory (DFT+D3) calculations performed over selected configurations: a flat graphene sheet, a benzene molecule, and a C60 fullerene, physisorbed on the Au(111) surface. The effects of bending and hydrogen passivation on the potential terms are discussed. The presented SAIP provides a noticeable improvement in the state-of-the-art description of Au-C interfaces. Furthermore, its functional form is suitable to describe the interfacial interaction between other 2D and bulk materials.
Related Concept Videos
Protein-protein Interfaces
Protein-Protein Interfaces
Properties of Organometallic Compounds
Network Covalent Solids
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Interfacial Electrochemical Methods: Overview

