Effect of CuOx additive site to graphene nanoribbon on its adsorption for hydrogen sulfide

A first principles investigation is carried out in this work for the adsorption of H2S gas on pristine and modified armchair-graphene nanoribbon (AGNR). CuOx (x=0,1,or2) is introduced to AGNR structures either by substitution of carbon atoms or through the decoration of their surfaces. The effect of...

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Bibliographic Details
Main Author: Ahmad I. Ayesh
Format: Article
Language:English
Published: Elsevier 2021-05-01
Series:Results in Physics
Subjects:
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379721003466