Theoretical study of stability of graphite intercalation compounds with Brønsted acids
Theoretical study of stability of graphite intercalation compounds with Brønsted acids
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DOI：
10.1016/s0008-6223(03)00385-3
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发表时间：
2003
期刊：
影响因子：
10.9
通讯作者：
M. V. Savos’kin;A. Yaroshenko;Gennadi Whyman;Michael M. Mestechkin-;R. Mysyk;V. Mochalin
中科院分区：
文献类型：
--
作者：
M. V. Savos’kin;A. Yaroshenko;Gennadi Whyman;Michael M. Mestechkin-;R. Mysyk;V. Mochalin
受体石墨层间化合物（GIC）与布朗斯台德酸的不稳定性是其广泛工业应用的主要障碍。从溶剂化阴离子到带正电的石墨烯层的电子转移被认为是分解过程中的第一步和限速步骤，其中插层阴离子的电离电位是GIC稳定性的量度。讨论了氢键和库仑相互作用对GIC稳定性的影响。
The instability of acceptor graphite intercalation compounds (GICs) with Brønsted 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.