Decomposition of SO₂ on Ni(111) Surface and the Effect of Metal Doping: A First-Principles Study

Sulfides poisoning of metallic Ni is an important issue in catalyst deactivation. SO₂, similar to H₂S and other sulfides, is an impurity presented in reactants or during the regeneration steps. Herein, spin-polarized density functional theory calculations were used to study the...

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Bibliografski detalji

Glavni autori:	Lingtao Liu, Chenxin Zhang, Wenshou Wang, Genghong Li, Bingtian Zhu
Format:	Artigo
Jezik:	Inglês
Izdano:	MDPI AG 2023-09-01
Serija:	Molecules
Teme:	SO<sub>2</sub> adsorption decomposition Ni(111) doping DFT
Online pristup:	https://www.mdpi.com/1420-3049/28/18/6739
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