Termination effects of single-atom decorated v-Mo2CTx MXene for the electrochemical nitrogen reduction reaction.
Zhai X, Dong H, Li Y, Yang X, Li L, Yang J, Zhang Y, Zhang J, Yan H, Ge G.
Zhai X, et al. Among authors: li y, li l.
J Colloid Interface Sci. 2022 Jan;605:897-905. doi: 10.1016/j.jcis.2021.07.083. Epub 2021 Jul 21.
J Colloid Interface Sci. 2022.
PMID: 34371433
By means of density functional theory (DFT) calculations, we have systematically investigated the NRR catalytic performance of single atoms decorated v-Mo(2)CT(2) (T = O, F, OH, Cl, and Li) MXene (TM@v-Mo(2)CT(2)). Our calculation results reveal the introduction of single …
By means of density functional theory (DFT) calculations, we have systematically investigated the NRR catalytic performance of single atoms …