Theoretical study of stability of graphite intercalation compounds with Bronsted acids

被引：13

作者：

Savoskin, MV ^{[1
]}

Yaroshenko, AP ^{[1
]}

Whyman, GE ^{[1
]}

Mestechkin, MM ^{[1
]}

Mysyk, RD ^{[1
]}

Mochalin, VN ^{[1
]}

机构：

[1] Natl Acad Sci Ukraine, LM Litvinenko Inst Phys Organ & Coal Chem, UA-83114 Donetsk, Ukraine

来源：

CARBON | 2003年 / 41卷 / 14期

关键词：

graphite; intercalation; molecular simulation;

D O I：

10.1016/S0008-6223(03)00385-3

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：

The instability of acceptor graphite intercalation compounds (GICs) with Bronsted acids is a main obstacle to their extensive industrial use. Electron transfer from the solvated anion to the positively charged graphene layer is considered to be the first and rate-limiting step in the decomposition process, with the ionization potential of the intercalated anion being a measure of the stability of GICs. The effects of the hydrogen bonding and Coulomb interaction on the GIC stability are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

引用

页码：2757 / 2760

页数：4

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