Molecular orbital study of the adsorption of chloroaluminum phthalocyanine on a NaCl (100) surface

被引：3

作者：

Hoshi, H ^{[1
]}

Nakao, S ^{[1
]}

Ishikawa, K ^{[1
]}

Takezoe, H ^{[1
]}

机构：

[1] Tokyo Inst Technol, Dept Organ & Polymer Mat, Meguro Ku, Tokyo 1528552, Japan

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS | 1998年 / 37卷 / 5A期

关键词：

chloroaluminum phthalocyanine; NaCl; alkali halide; epitaxial structure; molecular orbital calculation;

D O I：

10.1143/JJAP.37.L539

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

An ab-initio molecular orbital method has been applied to study the adsorption site of chloroaluminum phthalocyanine on the NaCl (100) surface. The most stable adsorption site was found in the geometry where the aluminum, four aza-bridging nitrogens, and four phenyl rings of chloroaluminum phthalocyanine are located on Na cations, which supports the model proposed by previous molecular mechanics calculations.

引用

页码：L539 / L542

页数：4

共 26 条

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