High-resolution electron microscopy and structural optimization of C36, B36N36 and Fe@B36N36 clusters

被引：40

作者：

Oku, T ^{[1
]}

Suganuma, K ^{[1
]}

机构：

[1] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan

来源：

关键词：

boron nitride; carbon; structure; transmission electron microscopy;

D O I：

10.1016/S0925-9635(00)00392-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomic structures and the structural stability of C-36 and B36N36 clusters were investigated by high-resolution electron microscopy and molecular orbital/mechanics calculations. In addition, the observed high-resolution image was related to a Fe@B36N36 metallofullerene structure, and a structure model was proposed. Total energy calculations of the clusters showed that the C-36, B36N36 and Fe@B36N36 are stable in this order. Image simulations of these clusters agreed well with observed images, which confirmed the proposed structure models. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：1205 / 1209

页数：5

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