Adsorption of phenylglycine on copper: Density functional calculations

被引：15

作者：

Blankenburg, S. ^{[1
]}

Schmidt, W. G. ^{[1
]}

机构：

[1] Univ Paderborn, D-33095 Paderborn, Germany

来源：

PHYSICAL REVIEW B | 2006年 / 74卷 / 15期

关键词：

ELECTRONIC-STRUCTURE; HYDROGEN; GLYCINE; SURFACES; CU(110);

D O I：

10.1103/PhysRevB.74.155419

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density-functional theory in generalized gradient approximation is used to analyze the adsorption of phenylglycine on the Cu(110) surface. The molecule-substrate interaction is found to be dominated by covalent bonds. Intermolecular hydrogen bonds favor the formation of homochiral surface domains over heterochiral adsorption models for the (3x2) reconstruction.

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页数：7

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