Single PdO loaded on boron nanosheet for methane oxidation:A DFT study

被引：0

作者：

Ani Dong ^{[1
,2
]}

Guowang Xu ^{[2
,3
]}

Zhongxu Dai ^{[4
]}

Aimin Yu ^{[2
]}

Siyao Qiu ^{[3
]}

Chenghua Sun ^{[2
]}

机构：

[1] Department of Computer and Information Science,City College of Dongguan University of Technology

[2] Department of Chemistry and Biotechnology,and Centre for Translational Atomaterials,Faculty of Science,Engineering and Technology,Swinburne University of Technology

[3] Science & Technology Innovation Institute,Dongguan University of Technology

[4] College of Materials and Chemical Engineering,and Hubei Key Laboratory of Natural Products Research and Development,China Three Gorges University

来源：

Progress in Natural Science:Materials International | 2019年 / 29卷 / 03期

关键词：

CH; Single PdO loaded on boron nanosheet for methane oxidation:A DFT study; DFT;

D O I：

暂无

中图分类号：

O623.411 [饱和一元醇];

学科分类号：

070303 ; 081704 ;

摘要：

The preparation of methanol （CH;OH） from methane （CH;） oxidation has been viewed as a promising technique to obtain liquid fuel from natural gas.It was demonstrated that oxygen was adsorbed on single palladium （PdO） as an excellent catalyst for the CH;-to-CH;OPH conversion under the scheme of density functional theory.The catalyst PdO loaded on boron sheet shows excellent stability and CH;OH selectivity.Computational calculations reveal that the boron substrate remarkably tunes the state of palladium.

引用

页码：367 / 369

页数：3

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