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",

issn = "0008-6223",

publisher = "Elsevier Ltd.",

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

UR - https://www.scopus.com/pages/publications/0142063454

U2 - 10.1016/S0008-6223(03)00385-3

DO - 10.1016/S0008-6223(03)00385-3

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AN - SCOPUS:0142063454

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

Abstract

Keywords

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