Graphite and graphitic compounds: vibrational spectra from oligomers to real materials

被引：70

作者：

Mapelli, C ^{[1
]}

Castiglioni, C ^{[1
]}

Meroni, E ^{[1
]}

Zerbi, G ^{[1
]}

机构：

[1] Politecn Milan, Dipartimento Chim Ind & Ingn Chim, I-20133 Milan, Italy

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 481卷

关键词：

valence force-field; 2D graphite crystal; Raman spectra;

D O I：

10.1016/S0022-2860(98)00920-X

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：

An empirical valence force-field has been obtained for an ideal two-dimensional crystal of graphite. This force field is the generalization to the infinite case of the force field developed by Ohno (in K. Ohno, J. Chem. Phys. 95 (1991) 5524; K. Ohno, J. Mol. Spectrosc. 72 (1978) 238) for simple Polycyclic Aromatic Hydrocarbons (PAH). Based on classical dynamical calculations we have clarified the origin of the Raman bands observed in PAH and have rationalized their correlation with the Raman features observed in graphitic materials with different degree of purity and crystalline order. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：615 / 620

页数：6

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