Single PdO loaded on boron nanosheet for methane oxidation: A DFT study
- Resource Type
- Academic Journal
- Authors
- Ani Dong; Guowang Xu; Zhongxu Dai; Aimin Yu; Siyao Qiu; Chenghua Sun
- Source
- 自然科学进展(英文版) / Progress in Natural Science Materials International. 29(3):367-369
- Subject
- Language
- Chinese
- ISSN
- 1002-0071
The preparation of methanol (CH3OH) from methane (CH4) 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 CH4-to-CH3OH conversion under the scheme of density functional theory. The catalyst PdO loaded on boron sheet shows excellent stability and CH3OH selectivity. Computational calculations reveal that the boron substrate re-markably tunes the state of palladium.