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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-08-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723004874 |