Interaction of Graphene with Out-of-Plane Aromatic Hydrocarbons

被引：15

作者：

Kolev, S. K. ^{[1
]}

Aleksandrov, H. A. ^{[2
]}

Atanasov, V. A. ^{[3
]}

Popov, V. N. ^{[3
]}

Milenov, T. I. ^{[1
]}

机构：

[1] Bulgarian Acad Sci, E Djakov Inst Elect, 72 Tzarigradsko Chausee Blvd, BU-1784 Sofia, Bulgaria

[2] Sofia Univ, Fac Chem & Pharm, 1 J Bourchier Blvd, Sofia 1164, Bulgaria

[3] Sofia Univ, Fac Phys, 5 J Bourchier Blvd, Sofia 1164, Bulgaria

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2019年 / 123卷 / 35期

关键词：

AB-INITIO; MOLECULES; DYNAMICS; HYBRID; TRANSITION; ADSORPTION; BINDING;

D O I：

10.1021/acs.jpcc.9b03550

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In the present article, graphene complexes with out-of-plane organic substances such as a triphenylmethyl radical, anion, and cation are studied. Comparison is made with the similar closed-shell molecule (cyclohexa-2,5-dien-l-ylidenemethylene)dibenzene. The nearest contact in the complexes is realized between a hydrogen atom of the organic molecule and a carbon atom of graphene. The geometry of the organic molecules does not change significantly, but changes in graphene's electronic density of states make possible the identification of the formed pi-pi complex. This effect represents an extension of the idea that graphene is capable of single-molecule detection to graphene being capable of adsorption complex detection and, more importantly, identification.

引用

页码：21448 / 21456

页数：9

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