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Rational design of cocatalyst for highly improved ammonia production from photoelectrochemical nitrate reduction Journal article
Liu, Di, Peng, Shuyang, Qiao, Lulu, Bai, Haoyun, An, Keyu, Liu, Chunfa, Chen, Mingpeng, Lo, Kin Ho, Ng, Kar Wei, Peng, Shengjie, Wang, Shuangpeng, Ip, Weng Fai, Pan, Hui. Rational design of cocatalyst for highly improved ammonia production from photoelectrochemical nitrate reduction[J]. Applied Catalysis B: Environmental, 2024, 351, 123980.
Authors:  Liu, Di;  Peng, Shuyang;  Qiao, Lulu;  Bai, Haoyun;  An, Keyu; et al.
Favorite | TC[WOS]:1 TC[Scopus]:2  IF:20.2/18.9 | Submit date：2024/05/16
Ammonia Production  Dft Calculations  Nitrate Reduction  Photoelectrocatalysis  
Comprehensive Mechanism for CO Electroreduction on Dual-Atom-Catalyst-Anchored N-Doped Graphene Journal article
Liu, Di, Zhao, Jia, Kong, Youchao, Ai, Haoqiang, Bai, Haoyun, Leong, Chon Chio, Lo, Kin Ho, Wang, Shuangpeng, Ip, Weng Fai, Lin, Sen, Pan, Hui. Comprehensive Mechanism for CO Electroreduction on Dual-Atom-Catalyst-Anchored N-Doped Graphene[J]. ChemPhysChem, 2023, 24(11).
Authors:  Liu, Di;  Zhao, Jia;  Kong, Youchao;  Ai, Haoqiang;  Bai, Haoyun; et al.
Favorite | TC[WOS]:1 TC[Scopus]:2  IF:2.3/2.8 | Submit date：2023/07/19
C2 Products  Dacs-anchored Graphene  Dft Calculations  E-corr  Explicit Solvent Model  
Electrocatalytic reduction of nitrate to ammonia on low-cost manganese-incorporated Co3O4 nanotubes Journal article
Liu, Di, Qiao, Lulu, Chen, Yuyun, Zhou, Pengfei, Feng, Jinxian, Leong, Chon Chio, Ng, Kar Wei, Peng, Shengjie, Wang, Shuangpeng, Ip, Weng Fai, Pan, Hui. Electrocatalytic reduction of nitrate to ammonia on low-cost manganese-incorporated Co3O4 nanotubes[J]. Applied Catalysis B - Environmental, 2022, 324, 122293.
Authors:  Liu, Di;  Qiao, Lulu;  Chen, Yuyun;  Zhou, Pengfei;  Feng, Jinxian; et al.
Favorite | TC[WOS]:64 TC[Scopus]:67  IF:20.2/18.9 | Submit date：2023/02/28
Ammonia Yield  Electrocatalytic Nitrate Reduction Reaction  Spinel Co3o4  Mn Incorporation  Dft Calculations  
Atomic scale insight into the mechanisms of chloride induced steel corrosion in concrete Journal article
Ming, Xing, Cai, Yongqing, Li, Zongjin. Atomic scale insight into the mechanisms of chloride induced steel corrosion in concrete[J]. Construction and Building Materials, 2022, 351, 128811.
Authors:  Ming, Xing;  Cai, Yongqing;  Li, Zongjin
Favorite | TC[WOS]:10 TC[Scopus]:11  IF:7.4/8.0 | Submit date：2022/11/07
Atomic Scale  Concrete  Depassivation Mechanisms  Dft Calculations  Steel Corrosion  
A super stable Near-Infrared garnet phosphor resistant to thermal Quenching, thermal degradation and hydrolysis Journal article
Feng, Jiajun, Liu, Hongmin, Ma, Zhe, Feng, Jiahao, Chen, Lianfen, Li, Junhao, Cai, Yongqing, Zeng, Qingguang, Wen, Dawei, Guo, Yue. A super stable Near-Infrared garnet phosphor resistant to thermal Quenching, thermal degradation and hydrolysis[J]. Chemical Engineering Journal, 2022, 449, 137892.
Authors:  Feng, Jiajun;  Liu, Hongmin;  Ma, Zhe;  Feng, Jiahao;  Chen, Lianfen; et al.
Favorite | TC[WOS]:26 TC[Scopus]:29  IF:13.3/13.2 | Submit date：2022/08/02
Near-infrared Light  Thermal Stability  Chemical Stability  Dft Calculations  
The role of hydrogen-bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study Journal article
Huang, Yiping, Ouyang, Defang, Ji, Yuanhui. The role of hydrogen-bond in solubilizing drugs by ionic liquids: A molecular dynamics and density functional theory study[J]. AICHE JOURNAL, 2022, 68(6).
Authors:  Huang, Yiping;  Ouyang, Defang;  Ji, Yuanhui
Favorite | TC[WOS]:21 TC[Scopus]:21  IF:3.5/3.6 | Submit date：2022/05/17
Aspirin  Dft Calculations  Etomidate  Hydrogen-bond Basicity And Acidity  Ionic Liquids  Molecular Dynamics Simulation  Solvation Mechanism  
CNSi/MXene/CNSi: Unique Structure with Specific Electronic Properties for Nanodevices Journal article
Bai, Haoyun, Ai, Haoqiang, Li, Bowen, Liu, Dong, Lo, Kin Ho, Ng, Kar Wei, Shi, Xingqiang, Kawazoe, Yoshiyuki, Pan, Hui. CNSi/MXene/CNSi: Unique Structure with Specific Electronic Properties for Nanodevices[J]. Small, 2021, 17(43), 2101482.
Authors:  Bai, Haoyun;  Ai, Haoqiang;  Li, Bowen;  Liu, Dong;  Lo, Kin Ho; et al.
Favorite | TC[WOS]:2 TC[Scopus]:2  IF:13.0/13.5 | Submit date：2021/09/10
2d Devices  Dft Calculations  Mxenes  
Regulating the electronic structure of NiFe layered double hydroxide/reduced graphene oxide by Mn incorporation for high-efficiency oxygen evolution reaction Mn调控NiFe LDH/rGO Journal article
Jiang, Binbin, Cheong, Weng Chon, Tu, Renyong, Sun, Kaian, Liu, Shoujie, Wu, Konglin, Shang, Hengshuai, Huang, Aijian, Wang, Miao, Zheng, Lirong, Wei, Xianwen, Chen, Chen. Regulating the electronic structure of NiFe layered double hydroxide/reduced graphene oxide by Mn incorporation for high-efficiency oxygen evolution reaction Mn调控NiFe LDH/rGO[J]. Science China Materials, 2021, 64(11), 2729-2738.
Authors:  Jiang, Binbin;  Cheong, Weng Chon;  Tu, Renyong;  Sun, Kaian;  Liu, Shoujie; et al.
Favorite | TC[WOS]:32 TC[Scopus]:34  IF:6.8/6.6 | Submit date：2021/11/30
Dft Calculations  Electrocatalysts  Mn  Nife Layered Double Hydroxides  Oxygen Evolution Reaction  
Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction Journal article
Feifei Li, Haoqiang Ai, Changmin Shi, Kin Ho Lo, Hui Pan. Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction[J]. International Journal of Hydrogen Energy, 2021, 46(24), 12886-12896.
Authors:  Feifei Li;  Haoqiang Ai;  Changmin Shi;  Kin Ho Lo;  Hui Pan
Favorite | TC[WOS]:44 TC[Scopus]:46  IF:8.1/7.3 | Submit date：2021/03/09
Co2 Reduction Reaction  Dft Calculations  Mxenes  N- Functionalized Ti2c  Single Atom Catalysts (Sacs)  
Waved 2D Transition-Metal Disulfides for Nanodevices and Catalysis: A First-Principle Study Journal article
Kong, Youchao, Ai, Haoqiang, Wang, Wei, Xie, Xiuhua, Lo, Kin Ho, Wang, Shuangpeng, Pan, Hui. Waved 2D Transition-Metal Disulfides for Nanodevices and Catalysis: A First-Principle Study[J]. ACS Applied Nano Materials, 2020, 3(3), 2804-2812.
Authors:  Kong, Youchao;  Ai, Haoqiang;  Wang, Wei;  Xie, Xiuhua;  Lo, Kin Ho; et al.
Adobe PDF | Favorite | TC[WOS]:20 TC[Scopus]:22  IF:5.3/5.4 | Submit date：2022/07/02
Waved 2d Materials, Transition-metal Disulfides, Strain Engineering, Electronic And Magnetic Properties, Hydrogen Evolution Reaction, Dft Calculations