Intercalated hydrogen in nanostructured graphite studied by electron energy-loss spectroscopy and molecular orbital calculations

被引：8

作者：

Kimura, T

Muto, S ^{[1
]}

Tatsumi, K

Tanabe, T

Kiyobayashi, T

机构：

[1] Nagoya Univ, Dept Mat Phys & Energy Engn, Div Quantum Sci & Energy Engn, Chikusa Ku, Nagoya, Aichi 4648603, Japan

[2] Natl Inst Adv Ind Sci & Technol, Special Div Green Life, New Energy Carrier Res Grp, Ikeda, Osaka 5638577, Japan

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2006年 / 413卷 / 1-2期

基金：

日本学术振兴会;

关键词：

hydrogen storage materials; mechanochemical synthesis; electron energy-loss spectroscopy;

D O I：

10.1016/j.jallcom.2005.01.142

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：

Hydrogen loosely trapped between graphitic basal planes in hydrogenated nanostructured graphite was detected by the change in the relative intensity ratio of the pi* and sigma* peaks of the C K-edge in electron energy-loss spectroscopy (EELS). The experimental spectral change was explained by model calculations of intercalated hydrogen in graphitic sheets, using an ab initio molecular orbital (DV-X alpha.) method. The present result suggests that in some cases the conventional method to estimate the sp(2)/sp(3) ratio of graphitic materials by EELS needs to be cautiously applied. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：150 / 154

页数：5

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