A New Mars‐van Krevelen Mechanism for CO Oxidation on a Ti‐Decorated MXene
Abstract First‐principles computations are performed to investigate the catalytic oxidation of CO on a Ti‐decorated Cr2TiC2O2 MXene monolayer, through comprehensive analysis of charge transfer, electronic density of states, and charge density difference of the interacting systems. By comparing the r...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley-VCH
2023-10-01
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| Series: | Advanced Materials Interfaces |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/admi.202300070 |