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Ab initio mechanism revealing for tricalcium silicate dissolution Journal article
Nature Communications, 2022,Volume: 13,Issue: 1
Authors:  Li, Yunjian;  Pan, Hui;  Liu, Qing;  Ming, Xing;  Li, Zongjin
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Ferroelectricity coexisted with p-orbital ferromagnetism and metallicity in two-dimensional metal oxynitrides Journal article
npj Computational Materials, 2022,Volume: 8,Issue: 1
Authors:  Ai, Haoqiang;  Li, Feifei;  Bai, Haoyun;  Liu, Dong;  Lo, Kin Ho;  Yang, Shengyuan A.;  Kawazoe, Yoshiyuki;  Pan, Hui
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Anion induced bottom surface passivation for high performance perovskite solar cell Journal article
Chemical Engineering Journal, 2022,Volume: 442
Authors:  Li, Shengwen;  Xia, Junmin;  Liang, Chao;  Wen, Zhaorui;  Mu, Zhen;  Wang, Kaiyang;  Gu, Hao;  Mei, Shiliang;  Pan, Hui;  Chen, Jiangzhao;  Xing, Guichuan;  Chen, Shi
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Anion passivation  Bottom surface  Crystallinity improvement  Density functional theory  Interfacial modification  Perovskite solar cell  
Regulation of the rutile/anatase TiO2 phase junction in-situ grown on –OH terminated Ti3C2Tx (MXene) towards remarkably enhanced photocatalytic hydrogen evolution Journal article
Chemical Engineering Journal, 2022,Volume: 439
Authors:  Peng, Chao;  Zhou, Tao;  Wei, Ping;  Ai, Haoqiang;  Zhou, Bingpu;  Pan, Hui;  Xu, Wenkang;  Jia, Jianbo;  Zhang, Kun;  Wang, Hongjuan;  Yu, Hao
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Charge separation  Hole mediator  Photocatalytic hydrogen evolution  TiO2 heterophase junction  –OH terminated Ti3C2Tx MXene  
Ab initio metadynamics simulations on the formation of calcium silicate aqua complexes prior to the nuleation of calcium silicate hydrate Journal article
Cement and Concrete Research, 2022,Volume: 156
Authors:  Li, Yunjian;  Pan, Hui;  Li, Zongjin
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Ab initio metadynamics simulations  Calcium silicate hydrate (C-S-H)  Hydration  Ligand substitution mechanisms  Pre-nucleation  
Corrosion engineering boosting bulk Fe50Mn30Co10Cr10 high-entropy alloy as high-efficient alkaline oxygen evolution reaction electrocatalyst Journal article
Journal of Materials Science and Technology, 2022,Volume: 109,Page: 267-275
Authors:  Zhou, Pengfei;  Liu, Dong;  Chen, Yuyun;  Chen, Mingpeng;  Liu, Yunxiao;  Chen, Shi;  Kwok, Chi Tat;  Tang, Yuxin;  Wang, Shuangpeng;  Pan, Hui
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Corrosion engineering  Electrocatalysis  High entropy alloy  Oxygen evolution reaction  Self-supporting  
Two-Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single-Atom Catalyst for Oxygen Reduction Reaction Journal article
ChemSusChem, 2022,Volume: 15,Issue: 6
Authors:  Li, Feifei;  Ai, Haoqiang;  Shen, Shiying;  Geng, Jiazhong;  Ho Lo, Kin;  Pan, Hui
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Carbon Nitride  Density Functional Calculations  Electrocatalysis  Oxygen Reduction Reaction  Semimetals  
Realization of integrative hierarchy by in-situ solidification of ‘semi-cured’ microcilia array in candle flame for robust and flexible superhydrophobicity Journal article
Chemical Engineering Journal, 2022,Volume: 432
Authors:  Chen, Ge;  Dai, Ziyi;  Ding, Sen;  Lei, Ming;  Lin, Jing;  Wang, Shuangpeng;  Zhou, Yinning;  Pan, Hui;  Zhou, Bingpu
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Candle Soot  Flexibility  Microcilia  Robust Hierarchy  Superhydrophobicity  
Co3Mo3N nanosheets arrays on nickel foam as highly efficient bifunctional electrocatalysts for overall urea electrolysis Journal article
International Journal of Hydrogen Energy, 2022,Volume: 47,Issue: 22,Page: 11447-11455
Authors:  Tong, Rui;  Xu, Miao;  Huang, Haiming;  Wu, Jun;  Xiong, Yongchen;  Shao, Mengmeng;  Zhao, Yunyang;  Wang, Shuangpeng;  Pan, Hui
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Co3mo3n-400/nf  Her  Oer  Oue  Uor  
Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis Journal article
Small, 2022,Volume: 18,Issue: 12
Authors:  He, Tianwei;  Santiago, Alain R.Puente;  Kong, Youchao;  Ahsan, Md Ariful;  Luque, Rafael;  Du, Aijun;  Pan, Hui
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Asymmetry Active Centers  Atomic Catalysis  Heteronuclear Dual-atoms  Synergistic Interactions