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Unravelling the Reaction Mechanisms of N2 Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring Journal article
Kong, Youchao, He, Tianwei, Puente Santiago, Alain R., Liu, Dong, Du, Aijun, Wang, Shuangpeng, Pan, Hui. Unravelling the Reaction Mechanisms of N2 Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring[J]. ChemSusChem, 2021, 14(16), 3257-3266.
Authors:  Kong, Youchao;  He, Tianwei;  Puente Santiago, Alain R.;  Liu, Dong;  Du, Aijun; et al.
Favorite | TC[WOS]:25 TC[Scopus]:24  IF:7.5/8.4 | Submit date：2021/09/10
Density Functional Theory  Electrocatalysis  Electrochemical Nitrogen Reduction  Nitrogen Fixation  Transition Metal Nitrides