Theoretical study of stability of graphite intercalation compounds with Brønsted acids

M. V. Savoskin; A. P. Yaroshenko; G. E. Whyman; M. M. Mestechkin; R. D. Mysyk; V. N. Mochalin

doi:10.1016/S0008-6223(03)00385-3

Theoretical study of stability of graphite intercalation compounds with Brønsted acids

M. V. Savoskin, A. P. Yaroshenko, G. E. Whyman, M. M. Mestechkin, R. D. Mysyk, V. N. Mochalin

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	2757-2760
Number of pages	4
Journal	Carbon
Volume	41
Issue number	14
DOIs	https://doi.org/10.1016/S0008-6223(03)00385-3
State	Published - 2003
Externally published	Yes

Keywords

A. Graphite
B. Intercalation
C. Molecular simulation

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10.1016/S0008-6223(03)00385-3

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title = "Theoretical study of stability of graphite intercalation compounds with Br{\o}nsted acids",

abstract = "The instability of acceptor graphite intercalation compounds (GICs) with Br{\o}nsted 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.",

keywords = "A. Graphite, B. Intercalation, C. Molecular simulation",

author = "Savoskin, {M. V.} and Yaroshenko, {A. P.} and Whyman, {G. E.} and Mestechkin, {M. M.} and Mysyk, {R. D.} and Mochalin, {V. N.}",

note = "Funding Information: The research was sponsored by the Science and Technology Center in Ukraine, Project No. 744. We are also indebted to the authors of Ref. [18] for providing us with their results prior to publication.",

year = "2003",

doi = "10.1016/S0008-6223(03)00385-3",

language = "אנגלית",

volume = "41",

pages = "2757--2760",

journal = "Carbon",

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number = "14",

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TY - JOUR

T1 - Theoretical study of stability of graphite intercalation compounds with Brønsted acids

AU - Savoskin, M. V.

AU - Yaroshenko, A. P.

AU - Whyman, G. E.

AU - Mestechkin, M. M.

AU - Mysyk, R. D.

AU - Mochalin, V. N.

N1 - Funding Information: The research was sponsored by the Science and Technology Center in Ukraine, Project No. 744. We are also indebted to the authors of Ref. [18] for providing us with their results prior to publication.

PY - 2003

Y1 - 2003

N2 - 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.

AB - 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.

KW - A. Graphite

KW - B. Intercalation

KW - C. Molecular simulation

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SN - 0008-6223

VL - 41

SP - 2757

EP - 2760

JO - Carbon

JF - Carbon

IS - 14

ER -

Theoretical study of stability of graphite intercalation compounds with Brønsted acids

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Keywords

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