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Adsorption of NO<sub>2</sub> and H<sub>2</sub>S on ZnGa<sub>2</sub>O<sub>4</sub>(111) Thin Films: A First-Principles Density Functional Theory Study

We performed first-principles total-energy density functional calculations to study the reactions of NO<sub>2</sub> and H<sub>2</sub>S molecules on Ga–Zn–O-terminated ZnGa<sub>2</sub>O<sub>4</sub>(111) surfaces. The adsorption reaction and work functions of eight NO<sub>2</sub> and H<sub>2</sub>S ad...

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Wedi'i Gadw mewn:
Prif Awduron: Jen-Chuan Tung, Yi-Hung Chiang, Ding-Yuan Wang, Po-Liang Liu
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: MDPI AG 2020-12-01
Cyfres:Applied Sciences
Pynciau:
ZnGa<sub>2</sub>O<sub>4</sub>
NO<sub>2</sub>
H<sub>2</sub>S
work function
first-principles calculations
Mynediad Ar-lein:https://www.mdpi.com/2076-3417/10/24/8822
Tagiau: Ychwanegu Tag
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