Adsorption of prototypical amino acids on silica: Influence of the pre-adsorbed water multilayer
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- 作者：Elena R. Remesal ; Javier Amaya ; Jesú ; s Graciani ; Antonio M. Má ; rquez ; Javier Fdez. Sanz ; sanz@us.es" class="auth_mail" title="E-mail the corresponding author
- 关键词：Silica surface ; Adsorption ; Amino acids ; Density functional calculations ; Dispersion forces
- 刊名：Surface Science
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：646
- 期：Complete
- 页码：239-246
- 全文大小：1352 K
文摘
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The influence of solvation on the adsorption of some amino acids on the silica surface is analyzed.
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The solvation by the water multilayer decreases the adsorption energy.
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All amino acids change to their zwitterion form when dispersion forces are included.
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Solvated zwitterions are the most stable structures.