Adsorption of Polyvinylpyrrolidone on Ag Surfaces: Insight into a Structure-Directing Agent

被引：177

作者：

Al-Saidi, W. A. ^{[1
]}

Feng, Haijun ^{[2
,4
]}

Fichthorn, Kristen A. ^{[2
,3
]}

机构：

[1] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA

[2] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA

[3] Penn State Univ, Dept Phys, University Pk, PA 16802 USA

[4] S China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Peoples R China

来源：

NANO LETTERS | 2012年 / 12卷 / 02期

关键词：

Density functional theory; nanostructure; silver; adsorption; van der Waals; structure-directing agent; SHAPE-CONTROLLED SYNTHESIS; ONE-DIMENSIONAL NANOSTRUCTURES; TOTAL-ENERGY CALCULATIONS; UNIFORM SILVER NANOWIRES; AB-INITIO; METAL NANOSTRUCTURES; NANOPARTICLES; GOLD; MECHANISM; PHASE;

D O I：

10.1021/nl2041113

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We use density functional theory to resolve the role of polyvinylpyrrolidone (PVP) in the shape-selective synthesis of Ag nanostructures. At the segment level, PVP binds more strongly to Ag(100) than Ag(111) because of a surface-sensitive balance between direct binding and van der Waals attraction. At the chain level, correlated segment binding leads to a strong preference for PVP bind to Ag(100). Our study underscores differences between small-molecule and polymeric structure-directing agents.

引用

页码：997 / 1001

页数：5

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