Tuning the van der Waals Interaction of Graphene with Molecules via Doping

被引：55

作者：

Huttmann, Felix ^{[1
]}

Martinez-Galera, Antonio J. ^{[1
]}

Caciuc, Vasile ^{[2
,3
]}

Atodiresei, Nicolae ^{[2
,3
]}

Schumacher, Stefan ^{[1
]}

Standop, Sebastian ^{[1
]}

Hamada, Ikutaro ^{[4
,5
]}

Wehling, Tim O. ^{[6
]}

Bluegel, Stefan ^{[2
,3
]}

Michely, Thomas ^{[1
]}

机构：

[1] Univ Cologne, Phys Inst 2, D-50937 Cologne, Germany

[2] Forschungszentrum Julich, Peter Grunberg Inst, D-52428 Julich, Germany

[3] Forschungszentrum Julich, Inst Adv Simulat, D-52428 Julich, Germany

[4] Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton WPI MANA, Tsukuba, Ibaraki 3050044, Japan

[5] Natl Inst Mat Sci, Global Res Ctr Environm & Energy Based Nanomat Sc, Tsukuba, Ibaraki 3050044, Japan

[6] Univ Bremen, BCCMS, D-28359 Bremen, Germany

来源：

PHYSICAL REVIEW LETTERS | 2015年 / 115卷 / 23期

关键词：

ENERGY;

D O I：

10.1103/PhysRevLett.115.236101

中图分类号：

O4 [物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene, a case of pure van der Waals interaction, strengthens with n and weakens with p doping of graphene. Density-functional theory calculations that include the van der Waals interaction in a seamless, ab initio way accurately reproduce the observed trend in binding energies. Based on a model calculation, we propose that the van der Waals interaction is modified by changing the spatial extent of graphene's pi orbitals via doping.

引用

页数：6

共 40 条

[1]

Bader R. F. W., 1994, ATOMS MOL QUANTUM TH

[2]

ON THE LARGE-GRADIENT BEHAVIOR OF THE DENSITY FUNCTIONAL EXCHANGE ENERGY [J].