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* corresponding author

2024:

53 (2). Enhanced Intermolecular Electron Transfer in Fluorinated Metal–Organic Framework Photocatalysts for Efficient CO2 Reduction

 Wenkai Xu, Gui‐Rong Zhang, Jiansong Wang, Hui Yu, Weiwei Zhang, Liu‐Liu Shen, Donghai Mei, Adv. Funct. Mat. 2024, 34 (9), 2312691.

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52 (1). Single-Atom Cu-Doped TiO2 nanorods with modulated surface active sites for superior photocatalytic performance 

Peng Zhang, Changhua Liu, Xiaoyan Yang, Mingming Chi, Lei Zhang, Yue Han, Weiwei Zhang, Shiwen Du, Shaomin Liu  J. Cat., 2024, 430, 115321.

2023:

51 (3). Thin film composite membranes prepared from diaminoguanidine hydrochloride for Mg2+/Li+ separation

Saihui Zhang, Chunhui Luo, Xiaoyang Li, Weiwei Zhang, Kun Jing, Ligang Lin, Zhihua Qiao, Jing Xu,Feng Yan, Dong Wan, Jie Pan, App. Surf. Sci., 2023, 635, 157605.

50 (2). Theoretical Study on the Catalytic CO2 Hydrogenation over the MOF-808-Encapsulated Single-Atom Metal Catalysts

Jinlu Liu, Wenjuan Xue*, Weiwei Zhang*, and Donghai Mei*, J. Phy. Chem. C, 2023, 127 (8), 4051-4062.

49 (1). Theoretical Screening of CO2 Electroreduction over MOF-808-Supported Self-Adaptive Dual-Metal-Site Pairs

Wenjuan Xue, Jian Li, Hongliang Huang*, Weiwei Zhang*, and Donghai Mei*, Inorg. Chem., 2023, 62(2), 930–941.

2022:

48 (4). Effects of Next-Nearest-Neighbor Aluminum Location on the Brønsted Acidity of HY Zeolites

Wenru Zhao, Weiwei Zhang*, Shaozhong Peng​, Wei Liu*, and Donghai Mei*, J. Phy. Chem. C, 2022, 126(49), 20864–20877.

47 (3). Covalent triazine framework encapsulated Pd nanoclusters for efficient hydrogen production via ammonia borane hydrolysis

Jiansong Wang, Yangyang Yu, Wenkai Xu, Hui Yu, Weiwei Zhang, Hongliang Huang, Gui-Rong Zhang, and Donghai Mei J. Cat., 2022, 411, 72-83.

46 (2).  Effects of hydroxylation on the acidic and basic strengths of anatase TiO2 surfaces

Wenjuan Xue, Zhenxin Yan, Qianqian Bao, Weiwei Zhang, and Donghai Mei, Mol. Sim., 2022, 48 (2), 829-843.

45 (1). An Artificial Neural Network Potential for Encapsulated Platinum Clusters in MOF-808 

Yangyang Yu, Weiwei Zhang*, and Donghai Mei*, J. Phy. Chem. C, 2021, 126 (2), 1204-1214.

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2021:

44 (3). Theoretical Characterization of Zeolite Encapsulated Platinum Clusters in the Presence of Water Molecules

Qianqian Bao, Weiwei Zhang*, and Donghai Mei*, Phys. Chem. Chem. Phys., 2021, 23 (40), 23360-23371.

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43 (2). Investigating the Accuracy of Water Models Through the Van Hove Correlation Function

Ray Matsumoto,  Matthew Thompson, van Quan Vuong, Weiwei Zhang, Yuya Shinohara, Adri van Duin, Paul Kent, Stephan Irle, Takeshi Egami, Peter Cummings, J. Chem. Theory Comput., 2021, 17, 5992-6005.

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42 (1). ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheet and water nanodroplets

Akarsh Verma, Weiwei Zhang, and Adri C. T. van Duin, Phys. Chem. Chem. Phys., 2021, 23, 10822-10834.

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2020:

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40 (2). Laboratory formation and photo-chemistry of covalently bonded polycyclic aromatic nitrogen heterocycle (PANH) clusters in the gas phase,

Yuanyuan Yang, Xiaoyi Hu, Deping Zhang, Weiwei Zhang, Guilin Liu, Junfeng Zhen. Mon. Not. R. Astron. Soc., 2020, 498, 1-11.

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39 (1).   Reactive molecular dynamics simulation for isotope-exchange reactions in H/D systems: ReaxFFHD development,

Mohammad Ebrahim Izadi, Ali Maghari, Weiwei Zhang, and Adri C. T. van Duin, J. Chem. Phys., 2020, 152, 224111.

2019:

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38 (9).  Atomistic insights into Cu chemical mechanical polishing mechanism in aqueous hydrogen peroxide and glycine: ReaxFF reactive molecular dynamics simulation, 

Jialin Wen, Tianbao Ma, Weiwei Zhang, Adri C. T. van Duin, Diana M. van Duin, Yuanzhong Hu, and Xinchun Lu, J. Phy. Chem. C, 2019, 123, 26467-26474.

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37 (8).  Laboratory Formation and Photo-Chemistry of Fullerene/Anthracene Cluster Cations,

Junfeng Zhen*, Weiwei Zhang*, YuanYuan Yang, Qingfeng Zhu and Alexander G. G. M. Tielens, The Astrophysical Journal,  2019, 887 (1), 70.

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36 (7).  Laboratory Study on the Fullerene-PAH derived cluster cations in the gas phase, 

Junfeng Zhen, Weiwei Zhang, YuanYuan Yang, and Qingfeng Zhu, Mon. Not. R. Astron. Soc.,  2019, 490, 3498-3507.

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35 (6). The formation and photo-chemistry of large functional PAH clusters,

Junfeng Zhen, Yuanyuan Yang, Weiwei Zhang, Qingfeng Zhu, Astronomy & Astrophysics, 2019, 628, A57.

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