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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
ChemSusChem, 2021,Volume: 14,Issue: 16,Page: 3257-3266
Authors:  Kong, Youchao;  He, Tianwei;  Puente Santiago, Alain R.;  Liu, Dong;  Du, Aijun;  Wang, Shuangpeng;  Pan, Hui
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/09/10
density functional theory  electrocatalysis  electrochemical nitrogen reduction  nitrogen fixation  transition metal nitrides  
Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia Journal article
Advanced Engineering Materials, 2021
Authors:  Wang, Shuo;  Li, Lei;  San Hui, Kwan;  Bin, Feng;  Zhou, Wei;  Fan, Xi;  Zalnezhad, E.;  Li, Jing;  Hui, Kwun Nam
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/09/10
density functional theory calculations  electrocatalysis  MXene  nitrogen reduction reaction  single-atom catalysts  
Theoretical Screening of Single Atoms Supported on Two-Dimensional Nb2CN2for Nitrogen Fixation Journal article
ACS Applied Nano Materials, 2020,Volume: 3,Issue: 11,Page: 11274-11281
Authors:  Youchao Kong;  Di Liu;  Haoqiang Ai;  Kin Ho Lo;  Shuangpeng Wang;  Hui Pan
Favorite |  | TC[WOS]:9 TC[Scopus]:9 | Submit date:2021/03/09
N-functionalized Mxenes  Nrr  Selectivity  Single-atom Catalyst  Transition Metals  
Co single-atom anchored on Co3O4 and nitrogen-doped active carbon toward bifunctional catalyst for zinc-air batteries Journal article
Applied Catalysis B: Environmental, 2020,Volume: 260
Authors:  Xiongwei Zhong;  Wendi Yi;  Yuanju Qu;  Luozheng Zhang;  Haoyu Bai;  Yuanmin Zhu;  Jing Wan;  Shi Chen;  Ming Yang;  Li Huang;  Meng Gu;  Hui Pan;  Baomin Xu
Favorite |  | TC[WOS]:59 TC[Scopus]:62 | Submit date:2021/03/09
Co Single Atom  Co3o4  Nitrogen-doped Carbon  Oxygen Reduction Reaction  Zinc-air Battery