A theoretical approach to the electronic structures of metal oxychlorides (MOCl: M-Ti, V, Cr and Fe)

Sang Ho Kim; Jun Kun Kang; Hojing Kim

doi:10.1016/0379-6779(94)02819-K

A theoretical approach to the electronic structures of metal oxychlorides (MOCl: M-Ti, V, Cr and Fe)

Sang Ho Kim, Jun Kun Kang, Hojing Kim

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

Abstract

We have carried out the extended Hückel tight-binding calculations on MOCl. Due to the narrow band widths of MOCl, localization of electronic state is predicted. The reactivity towards intercalation depends on the extent of metal contribution at the Fermi level.

Original language	English
Pages (from-to)	1203-1204
Number of pages	2
Journal	Synthetic Metals
Volume	70
Issue number	1-3
DOIs	https://doi.org/10.1016/0379-6779(94)02819-K
State	Published - Mar 15 1995
Externally published	Yes

Funding

ACKNOWLEDGEMENT This work has been supportebd y KoreanS ciencea ndE ngineerinFgo undationS,. N. U. Daewoo Research Fund, Ministry of Education and Non-directed ResearcFhu nd,K oreaR esearcFho undation.

Funders	Funder number
Ministry of Education

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10.1016/0379-6779(94)02819-K

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title = "A theoretical approach to the electronic structures of metal oxychlorides (MOCl: M-Ti, V, Cr and Fe)",

abstract = "We have carried out the extended H{\"u}ckel tight-binding calculations on MOCl. Due to the narrow band widths of MOCl, localization of electronic state is predicted. The reactivity towards intercalation depends on the extent of metal contribution at the Fermi level.",

author = "Kim, {Sang Ho} and Kang, {Jun Kun} and Hojing Kim",

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AU - Kim, Sang Ho

AU - Kang, Jun Kun

AU - Kim, Hojing

PY - 1995/3/15

Y1 - 1995/3/15

N2 - We have carried out the extended Hückel tight-binding calculations on MOCl. Due to the narrow band widths of MOCl, localization of electronic state is predicted. The reactivity towards intercalation depends on the extent of metal contribution at the Fermi level.

AB - We have carried out the extended Hückel tight-binding calculations on MOCl. Due to the narrow band widths of MOCl, localization of electronic state is predicted. The reactivity towards intercalation depends on the extent of metal contribution at the Fermi level.

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U2 - 10.1016/0379-6779(94)02819-K

DO - 10.1016/0379-6779(94)02819-K

M3 - Article

AN - SCOPUS:0029272183

SN - 0379-6779

VL - 70

SP - 1203

EP - 1204

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

A theoretical approach to the electronic structures of metal oxychlorides (MOCl: M-Ti, V, Cr and Fe)

Abstract

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