First Principle Analysis on Pyridine Amide Derivatives’ Adsorption Behavior on the Pt (111) Surface

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:	adsorption behavior pyridine amide additives first principle molecular reactivity aluminum deposition chemical adsorption
Online Access:	https://www.mdpi.com/2073-4352/11/2/98

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