Adsorption of NO2 and NH3 on single-atom (Co, Pd, Pt)-decorated 2H-MoS2 monolayer: A DFT study

Adsorption of NO2 and NH3 on single-atom (Co, Pd, Pt)-decorated 2H-MoS2 monolayer: A DFT study

The single-atom decoration has attracted significant research interest by virtue of its critical role in modulating the electronic structure of transition metal dichalcogenides, and has been widely used in the fields of single-atom catalysis. Herein, we investigated the structures, electronic proper...

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Bibliographic Details
Main Authors: Jinjuan Zhang, Xiaodong Zhu, Kaixing Zhu, Jinbo Shen, Yan Xu, Da Chen, Peng Wang
Format: Article
Language:English
Published: Elsevier 2023-08-01
Series:Results in Physics
Subjects:
MoS2 monolayer
Gas adsorption
First-principles calculations
Single-atom decoration
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379723004874

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