Adsorption of polyvinylpyrrolidone on Ag surfaces: insight into a structure-directing agent.
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.
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA. alsaidi@pitt.edu
W A
WA
Al-Saidi
Haijun
H
Feng
Kristen A
KA
Fichthorn
D000327:Adsorption; D015394:Molecular Structure; D049329:Nanostructures / Q000737:chemistry; D011205:Povidone / Q000737:chemistry*; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry*; D013499:Surface Properties
D012834:Silver; D011205:Povidone