期刊
JOURNAL OF MATERIALS CHEMISTRY A
卷 4, 期 13, 页码 4871-4876出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6ta00554c
关键词
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资金
- NSFC [21273118, 21421001]
- MOE Innovation Team in China [IRT13022]
First-principles computations were performed to investigate the catalytic oxidation of CO on a Ti-anchored Ti2CO2 monolayer, a typical MXene. The Ti2CO2 monolayer could prevent the formation of Ti clusters. Both Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms were considered, and the results manifest that the Ti-anchored Ti2CO2 monolayer exhibits very high activity even comparable to many noble metal catalysts for low-temperature CO oxidation. This work contributes to designing more effective and nonprecious-metal single-atom catalysts and widening the applications of MXene-based materials.
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