Cu4 Cluster Doped Monolayer MoS2 for CO Oxidation

Cu4 Cluster Doped Monolayer MoS2 for CO Oxidation

The catalytic oxidation of CO molecule on a thermodynamically stable Cu4 cluster doped MoS2 monolayer is investigated by density functional theory (DFT) where the reaction proceeds in a new formation order of COOOCO* (O2* + 2CO* → COOOCO*), OCO* (COOOCO* → CO2 + OCO*), and CO2 (OCO* → CO2) desorptio...

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Bibliographic Details
Main Authors: Chen, Z. W., Yan, J. M., Zheng, W. T., Jiang, Q.
Format: Online
Language:English
Published: Nature Publishing Group 2015
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459236/

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https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459236/

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