First Principle Analysis on Pyridine Amide Derivatives’ Adsorption Behavior on the Pt (111) Surface
The reactivity and adsorption behavior of three pyridine amide additives (Nicotinamide, Pyridine-2-formamide and Pyridine-4-formamide) on the Pt (111) surface was studied by First principle methods. The quantum chemical calculations of molecular reactivity show that the frontier orbitals of the thre...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-01-01
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Series: | Crystals |
Subjects: | |
Online Access: | https://www.mdpi.com/2073-4352/11/2/98 |