Atomic and electronic structure of graphene/Sn-Ni(111) and graphene/Sn-Cu(111) surface alloy interfaces

被引：17

作者：

Adamska, L. ^{[1
]}

Addou, R. ^{[1
]}

Batzill, M. ^{[1
]}

Oleynik, I. I. ^{[1
]}

机构：

[1] Univ S Florida, Dept Phys, Tampa, FL 33620 USA

来源：

APPLIED PHYSICS LETTERS | 2012年 / 101卷 / 05期

关键词：

GRAPHENE FILMS; INTERCALATION; MONOLAYER; MOLECULES; CU(111); NI(111); SN;

D O I：

10.1063/1.4739475

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

First-principles density functional theory calculations were performed to investigate the effect of Sn surface alloying on the strength of interface interactions between graphene and Ni(111) or Cu(111) substrates. A substantial reduction of graphene-metal interactions was observed for the graphene/Sn-Ni(111) interface: binding energy was reduced from 0..055 eV/(C atom) to 0.015 eV/(C atom); interface distance was increased from 2.12 angstrom to 3.52 angstrom. The initially weak graphene/Cu(111) interface was hardly affected by Sn surface alloying. Electronic structure calculations, including local density of states and simulated scanning tunneling microscopy images, provide further details on the changing character of graphene-Ni(111) interactions upon Sn alloying. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4739475]

引用

页数：4