期刊
NANO LETTERS
卷 12, 期 2, 页码 997-1001出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl2041113
关键词
Density functional theory; nanostructure; silver; adsorption; van der Waals; structure-directing agent
类别
资金
- Department of Energy, Office of Basic Energy Sciences, Materials Science Division [DE-FG02-07ER46414]
- China Scholarship Council
- [NSF/OCI-1053575]
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.
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