A DFT study on methanol decomposition over single atom Pt/CeO₂ catalysts: the effect of the position of Pt

Hao Lu,Yuan Zhong,Jie Yao, Ping Yin,Xin Zhao,Yuliang Feng,Tianyao Shen,Jingyi Guo,Wei Zhang,Min Pu,Hong Yan

Physical Chemistry Chemical Physics（2023）

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摘要

This theoretical study shows the mechanism of MD reaction on Pt 1 /CeO 2 (110), Pt 7 /CeO 2 (110), and Pt 1 /Ce 1− x O 2 (110) surfaces and demonstrates that adjusting the loading position of Pt single atoms can effectively improve the catalytic activity.

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关键词

methanol decomposition,single atom pt/ceo<sub>2</sub>,catalysts,dft study

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A DFT study on methanol decomposition over single atom Pt/CeO2 catalysts: the effect of the position of Pt

A DFT study on methanol decomposition over single atom Pt/CeO₂ catalysts: the effect of the position of Pt