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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
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density functional theory  electrocatalysis  electrochemical nitrogen reduction  nitrogen fixation  transition metal nitrides  
Recent advances of electrically conductive metal-organic frameworks in electrochemical applications Journal article
Materials Today Nano, 2021,Volume: 13
Authors:  Li, Chaowei;  Sun, Xiaojuan;  Yao, Yagang;  Hong, Guo
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Batteries  Electrically conductive mechanisms  Electrocatalyst  Electrochemical energy storage  Electrochemical sensing  
Development of Electrocatalysts for Efficient Nitrogen Reduction Reaction under Ambient Condition Journal article
Advanced Functional Materials, 2021,Volume: 31,Issue: 11,Page: 2008983
Authors:  Dong Liu;  Mingpeng Chen;  Xinyu Du;  Haoqiang Ai;  Kin Ho Lo;  Shuangpeng Wang;  Shi Chen;  Guichuan Xing;  Xuesen Wang;  Hui Pan
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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
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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
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N-functionalized Mxenes  Nrr  Selectivity  Single-atom Catalyst  Transition Metals  
Substrate strain engineering: An efficient strategy to enhance the catalytic activity of SACs on waved graphene for e-NRR Journal article
Sustainable Energy and Fuels, 2020,Volume: 4,Issue: 7,Page: 3773-3779
Authors:  Di Liu;  Haoqiang Ai;  Wan Tong Lou;  Feifei Li;  Kin Ho Lo;  Shuangpeng Wang;  Hui Pan
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Electronic state optimization for electrochemical N2reduction reaction in aqueous solution Journal article
Journal of Materials Chemistry A, 2020,Volume: 8,Issue: 28,Page: 13896-13915
Authors:  Jinxian Feng;  Hui Pan
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Defect engineering of nanostructured electrocatalysts for enhancing nitrogen reduction Journal article
Journal of Materials Chemistry A, 2020,Volume: 8,Issue: 16,Page: 7457-7473
Authors:  Kong, Xin;  Peng, Hui Qing;  Bu, Shuyu;  Gao, Qili;  Jiao, Tianpeng;  Cheng, Junye;  Liu, Bin;  Hong, Guo;  Lee, Chun Sing;  Zhang, Wenjun
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Enhanced N2-Fixation by Engineering the Edges of Two-Dimensional Transition-Metal Disulfides Journal article
Journal of Physical Chemistry C, 2019,Volume: 123,Issue: 36,Page: 22221-22227
Authors:  Feifei Li;  Li Chen;  Hongmei Liu;  Dongchao Wang;  Changmin Shi;  Hui Pan
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