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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
Authors:  Li,Feifei;  Ai,Haoqiang;  Shi,Changmin;  Lo,Kin Ho;  Pan,Hui
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CO2 reduction reaction  DFT calculations  MXenes  N- functionalized Ti2C  Single atom catalysts (SACs)  
Disclosing the microscopic mechanism and adsorption properties of CO2capture in: N -isopropylethylenediamine appended M2(dobpdc) series Journal article
Physical Chemistry Chemical Physics, 2020,Volume: 22,Issue: 42,Page: 24614-24623
Authors:  Zhang,Hui;  Yang,Li Ming;  Pan,Hui;  Ganz,Eric
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Atomistic level mechanism of CO2 adsorption in n-ethylethylenediamine-functionalized M2(dobpdc) metal-organic frameworks Journal article
Crystal Growth and Design, 2020,Volume: 20,Issue: 10,Page: 6337-6345
Authors:  Yang,Li Ming;  Zhang,Hui;  Pan,Hui;  Ganz,Eric
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Efficient Hydrogen Peroxide (H2O2) Synthesis by CaSnO3via Two-Electron Water Oxidation Reaction Journal article
ACS Sustainable Chemistry and Engineering, 2020,Volume: 8,Issue: 39,Page: 15005-15012
Authors:  Kang,Ting;  Li,Bei;  Hao,Qinglan;  Gao,Weijie;  Bin,Feng;  Hui,Kwun Nam;  Fu,Dong;  Dou,Baojuan
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calcination  CaSnO3nanoparticles  DFT  in situ H2O2generation  two-electron water oxidation reaction  vacancy oxygen  
Heteroatomic Interface Engineering of MOF-Derived Metal-Embedded P- And N-Codoped Zn Node Porous Polyhedral Carbon with Enhanced Sodium-Ion Storage Journal article
ACS Applied Energy Materials, 2020,Volume: 3,Issue: 9,Page: 8892-8902
Authors:  Zhu,Siqi;  Yin,Hong;  Wang,Yatong;  Hui,Kwan San;  Wu,Xi Lin;  Mai,Wenjie;  Hong,Xiaoting;  Chen,Fuming;  Hui,Kwun Nam
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heteroatom  mesoporous  phosphorus  sodium-ion batteries  Zn node  
The structures, electronic properties, and chemical bonding of binary alloy boron–aluminum clusters series B4Aln 0/−/+ (n = 1–5) Journal article
Materials Today Communications, 2020,Volume: 24
Authors:  Wen,Limei;  Li,Guoliang;  Yang,Li Ming;  Pan,Hui;  Ganz,Eric
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AdNDP analysis  Boron–aluminum binary alloy clusters  CCSD(T)  Chemical bonding  Density functional theory (DFT)  
Magnetic and electronic properties of 2D TiX3(X = F, Cl, Br and I) Journal article
Physical Chemistry Chemical Physics, 2020,Volume: 22,Issue: 31,Page: 17632-17638
Authors:  Geng,Jiazhong;  Chan,Iat Neng;  Ai,Haoqiang;  Lo,Kin Ho;  Kawazoe,Yoshiyuki;  Ng,Kar Wei;  Pan,Hui
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Design of novel pentagonal 2D transitional-metal sulphide monolayers for hydrogen evolution reaction Journal article
International Journal of Hydrogen Energy, 2020,Volume: 45,Issue: 32,Page: 16201-16209
Authors:  Ao,Kin Long;  Shao,Yangfan;  Chan,Iat Neng;  Shi,Xingqiang;  Kawazoe,Yoshiyuki;  Yang,Ming;  Ng,Kar Wei;  Pan,Hui
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2D materials  First-principles calculation  Hydrogen evolution reaction (HER)  Transitional-metal sulphide