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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  
Oxygen Defect Engineering of β-MnO2 Catalysts via Phase Transformation for Selective Catalytic Reduction of NO Journal article
Small, 2021,Page: 2102408
Authors:  Runnong Yang;  Shaomin Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng,Peng;  Bang Lan;  Ming Sun;  Zihao Zhou;  Changyong Sun;  Zihan Gao;  Guichuan Xing;  Lin Yu
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Tuning CO binding strengthviaengineering the copper/borophene interface for highly efficient conversion of CO into ethanol Journal article
Journal of Materials Chemistry A, 2021,Volume: 9,Issue: 22,Page: 13192-13199
Authors:  He, Tianwei;  Tang, Cheng;  Puente Santiago, Alain R.;  Luque, Rafael;  Pan, Hui;  Du, Aijun
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[Fe(CN)6] vacancy-boosting oxygen evolution activity of Co-based Prussian blue analogues for hybrid sodium-air battery Journal article
Materials Today Energy, 2021,Volume: 20
Authors:  Kang, Y.;  Wang, S.;  Hui, K. S.;  Li, H. F.;  Liang, F.;  Wu, X. L.;  Zhang, Q.;  Zhou, W.;  Chen, L.;  Chen, F.;  Hui, K. N.
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Aqueous sodium-air battery  Oxygen evolution reaction  Surface electronic configuration  [Fe(CN)6] vacancies  
Structure-induced partial phase transformation endows hollow TiO2/TiN heterostructure fibers stacked with nanosheet arrays with extraordinary sodium storage performance Journal article
Journal of Materials Chemistry A, 2021,Volume: 9,Issue: 20,Page: 12109-12118
Authors:  Xue, Pan;  Li, Qiulong;  Gong, Wenbin;  Sun, Zhongti;  Wang, Han;  Zhu, Kaiping;  Guo, Can;  Hong, Guo;  Xu, Weigao;  Sun, Jingyu;  Yao, Yagang;  Liu, Zhongfan
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Iron-modulated nickel cobalt phosphide embedded in carbon to boost power density of hybrid sodium–air battery Journal article
Applied Catalysis B: Environmental, 2021,Volume: 285
Authors:  Kang,Yao;  Wang,Shuo;  Zhu,Siqi;  Gao,Haixing;  Hui,Kwan San;  Yuan,Cheng Zong;  Yin,Hong;  Bin,Feng;  Wu,Xi Lin;  Mai,Wenjie;  Zhu,Ling;  Hu,Maocong;  Liang,Feng;  Chen,Fuming;  Hui,Kwun Nam
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Dft Calculation  Electronic Structure Reformation  Hybrid Sodium-air Battery  Iron Doping  Nickel Cobalt Phosphide  
Mechanistic insights into NO‒H2 reaction over Pt/boron-doped graphene catalyst Journal article
Journal of Hazardous Materials, 2021,Volume: 406
Authors:  Yao,Zhenhua;  Li,Lei;  Liu,Xuguang;  Hui,Kwun Nam;  Shi,Ling;  Zhou,Furong;  Hu,Maocong;  Hui,K. S.
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Dft Study  Graphene-based Catalysis  Kinetic Modeling  Langmuir−hinshelwood Dual-site Mechanism  No Abatement  
Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction Journal article
International Journal of Hydrogen Energy, 2021,Volume: 46,Issue: 24,Page: 12886-12896
Authors:  Feifei Li;  Haoqiang Ai;  Changmin Shi;  Kin Ho Lo;  Hui Pan
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Co2 Reduction Reaction  Dft Calculations  Mxenes  N- Functionalized Ti2c  Single Atom Catalysts (Sacs)  
Interface Effect of Ru-MoS2 Nanoflowers on Lignin Substrate for Enhanced Hydrogen Evolution Activity Journal article
Energy and Environmental Materials, 2021,Volume: 4,Issue: 1,Page: 117-125
Authors:  Xu, Yeqing;  Jiang, Xingxing;  Shao, Gonglei;  Xiang, Haiyan;  Si, Sisi;  Li, Xing;  Hu, Travis Shihao;  Hong, Guo;  Dong, Shengyi;  Li, Huimin;  Feng, Yexin;  Liu, Song
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carbonized lignin  hydrogen evolution reaction  interface effect  molybdenum disulfide  
Boosting Zn-ion storage capability of self-standing Zn-doped Co3O4 nanowire array as advanced cathodes for high-performance wearable aqueous rechargeable Co//Zn batteries Journal article
Nano Research, 2021,Volume: 14,Issue: 1,Page: 91-99
Authors:  Li, Qiulong;  Zhang, Qichong;  Zhou, Zhengyu;  Gong, Wenbin;  Liu, Chenglong;  Feng, Yongbao;  Hong, Guo;  Yao, Yagang
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aqueous rechargeable Co//Zn battery  fiber-shaped  high-capacity  high-rate  Zn-doped Co3O4