Density Functional Theory Study of Methanol Steam Reforming on Pt<sub>3</sub>Sn(111) and the Promotion Effect of a Surface Hydroxy Group

Density Functional Theory Study of Methanol Steam Reforming on Pt<sub>3</sub>Sn(111) and the Promotion Effect of a Surface Hydroxy Group

Methanol steam reforming (MSR) is studied on a Pt<sub>3</sub>Sn surface using the density functional theory (DFT). An MSR network is mapped out, including several reaction pathways. The main pathway proposed is CH<sub>3</sub>OH + OH → CH<sub>3</sub>O → CH<sub&g...

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Bibliographic Details
Main Authors: Ping He, Houyu Zhu, Qianyao Sun, Ming Li, Dongyuan Liu, Rui Li, Xiaoqing Lu, Wen Zhao, Yuhua Chi, Hao Ren, Wenyue Guo
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Nanomaterials
Subjects:
methanol
steam reforming
PtSn alloy
hydroxy group
density functional theory
Online Access:https://www.mdpi.com/2079-4991/14/3/318

Internet

https://www.mdpi.com/2079-4991/14/3/318

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