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...

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Bibliographic Details
Main Authors: Guocai Tian, Huanhuan Du, Hongmei Zhang
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/11/2/98