Variation of adsorption geometries by the influence of nucleophilicity among p-CPA, p-TPA, and p-NPA on Ge (1 0 0)
The geometric configurations among phenylalanine derivatives (p-chlorophenylalanine,(p-
CPA) thiophenylalanine (p-TPA), and p-nitrophenylalanine (p-NPA)) adsorbed on Ge (1 0 0)
surfaces were investigated using density functional theory (DFT) calculations. We focused
on describing the role of nucleophilic group (–Cl,–SH, and–NO 2) being included in p-CPA,
p-TPA, and p-NPA molecules, which can affect the stable adsorption structure energies and
geometric configurations when they adsorb on the Ge (1 0 0) surface. We confirmed that …
CPA) thiophenylalanine (p-TPA), and p-nitrophenylalanine (p-NPA)) adsorbed on Ge (1 0 0)
surfaces were investigated using density functional theory (DFT) calculations. We focused
on describing the role of nucleophilic group (–Cl,–SH, and–NO 2) being included in p-CPA,
p-TPA, and p-NPA molecules, which can affect the stable adsorption structure energies and
geometric configurations when they adsorb on the Ge (1 0 0) surface. We confirmed that …
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