Stability of homochiral and heterochiral phases of glycinate on Cu(001): a first principles theoretical study

被引：21

作者：

Mae, K

Morikawa, Y

机构：

[1] JAIST, Sch Knowledge Sci, Tatsunokuchi, Ishikawa 9231292, Japan

[2] AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan

来源：

SURFACE SCIENCE | 2004年 / 553卷 / 1-3期

关键词：

biological molecules - proteins; copper; scanning tunneling microscopy; ab initio quantum chemical methods and calculations;

D O I：

10.1016/j.susc.2004.01.052

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：

We have examined the stability of self-assembled monolayers of glycinate on the Cu(001) surface by density functional theoretical calculations. We found that a c(2 x 4) homochiral structure is as stable as a (2 x 4)-pg heterochiral (pseudo-2 x 2) structure, strongly suggesting the co-existence of the both phases. Calculated STM images agree well with the experimentally observed ones. (C) 2004 Elsevier B.V. All rights reserved.

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收藏

页码：L63 / L67

页数：5

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