Zisheng Zhang

@article{zhang2025gocia,
  title = {GOCIA: a grand canonical global optimizer for clusters, interfaces, and adsorbates},
  author = {Zhang*, Zisheng and Gee, Winston and Lavroff, Robert H and Alexandrova*, Anastassia N},
  journal = {Physical Chemistry Chemical Physics},
  volume = {27},
  number = {2},
  pages = {696--706},
  year = {2025},
  publisher = {Royal Society of Chemistry},
  doi = {10.1039/D4CP03801K},
}

@article{zhang2024CuHCO,
  author = {Zhang, Zisheng and Gee, Winston and Alexandrova*, Anastassia N. and Sautet*, Philippe},
  title = {H and CO Co-Induced Cu Adatom Formation in CO2 Electroreduction Conditions},
  journal = {Journal of the American Chemical Society},
  volume = {146},
  number = {23},
  pages = {16119--16127},
  year = {2024},
}

@article{shah2024jacs,
  author = {Shah†, Aamir Hassan and Zhang†, Zisheng and Wan, Chengzhang and Wang, Sibo and Wang, Laiyuan and Alexandrova*, Anastassia N. and Huang*, Yu and Duan*, Xiangfeng},
  title = {Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media},
  journal = {Journal of the American Chemical Society},
  volume = {146},
  number = {14},
  pages = {9623--9630},
  year = {2024},
}

@article{zhang2024modeling,
  title = {Modeling Interfacial Dynamics on Single Atom Electrocatalysts: Explicit Solvation and Potential Dependence},
  author = {Zhang, Zisheng and Li, Jun and Wang*, Yang-Gang},
  journal = {Accounts of Chemical Research},
  volume = {57},
  number = {2},
  pages = {198--207},
  year = {2024},
  publisher = {ACS Publications},
}

@article{zhang2023hBN,
  title = {Off-stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane},
  author = {Zhang, Zisheng and Hermans, Ive and Alexandrova*, Anastassia N},
  journal = {Journal of the American Chemical Society},
  volume = {145},
  number = {31},
  pages = {17265-17273},
  year = {2023},
  doi = {10.1021/jacs.3c04613},
}

@article{cao2023engineering,
  author = {Cao, Hao and Wang, Qilun and Zhang, Zisheng and Yan, Hui-Min and Zhao, Hongyan and Yang, Hong Bin and Liu, Bin and Li, Jun and Wang, Yang-Gang},
  title = {Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction},
  journal = {Journal of the American Chemical Society},
  volume = {145},
  number = {24},
  pages = {13038-13047},
  year = {2023},
  doi = {10.1021/jacs.2c13418},
}

@article{wan2023amorphous,
  title = {Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction},
  author = {Wan, Chengzhang and Zhang, Zisheng and Dong, Juncai and Xu, Mingjie and Pu, Heting and Baumann, Daniel and Lin, Zhaoyang and Wang, Sibo and Huang, Jin and Shah, Aamir Hassan and Pan, Xiaoqing and Hu, Tiandou and Alexandrova*, Anastassia N. and Huang*, Yu and Duan*, Xiangfeng},
  journal = {Nature Materials},
  volume = {22},
  pages = {1022-1029},
  year = {2023},
  doi = {10.1038/s41563-023-01584-3},
  publisher = {Nature Publishing Group UK London},
}

@article{zhang2023hydrogen,
  title = {Hydrogen Evolution on FTO-Supported Ptn Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity},
  author = {Zhang†, Zisheng and Masubuchi†, Tsugunosuke and Sautet, Philippe and Anderson*, Scott L and Alexandrova*, Anastassia N},
  journal = {Angewandte Chemie International Edition},
  year = {2023},
  volume = {135},
  number = {20},
  pages = {e202218210},
  publisher = {Wiley Online Library},
  doi = {10.1002/anie.202218210},
}

@article{shah2022role,
  title = {The role of alkali metal cations and platinum-surface hydroxyl in the alkaline hydrogen evolution reaction},
  author = {Shah, Aamir Hassan and Zhang, Zisheng and Huang, Zhihong and Wang, Sibo and Zhong, Guangyan and Wan, Chengzhang and Alexandrova*, Anastassia N and Huang*, Yu and Duan*, Xiangfeng},
  journal = {Nature Catalysis},
  volume = {5},
  number = {10},
  pages = {923--933},
  year = {2022},
  publisher = {Nature Publishing Group UK London},
  doi = {10.1038/s41929-022-00851-x},
}

@article{zhang2022hydrogen,
  title = {Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions},
  author = {Zhang, Zisheng and Wei, Ziyang and Sautet*, Philippe and Alexandrova*, Anastassia N.},
  journal = {Journal of the American Chemical Society},
  volume = {144},
  number = {42},
  pages = {19284--19293},
  year = {2022},
  publisher = {American Chemical Society},
  doi = {10.1021/jacs.2c06188},
}

@article{barlow2022molecular,
  title = {Molecular design of redox carriers for electrochemical CO 2 capture and concentration},
  author = {Barlow†, Jeffrey M and Clarke†, Lauren E and Zhang†, Zisheng and B{\'\i}m, Daniel and Ripley, Katelyn M and Zito, Alessandra and Brushett*, Fikile R and Alexandrova*, Anastassia N and Yang*, Jenny Y},
  journal = {Chemical Society Reviews},
  volume = {51},
  pages = {8415--8433},
  year = {2022},
  publisher = {Royal Society of Chemistry},
  doi = {10.1039/D2CS00367H},
}

@article{zhang2022inverse,
  title = {Inverse molecular design of alkoxides and phenoxides for aqueous direct air capture of CO2},
  author = {Zhang, Zisheng and Kummeth, Amanda L and Yang*, Jenny Y and Alexandrova*, Anastassia N},
  journal = {Proceedings of the National Academy of Sciences},
  volume = {119},
  number = {25},
  pages = {e2123496119},
  year = {2022},
  publisher = {National Academy of Sciences},
  doi = {10.1073/pnas.2123496119},
}

@article{chen2022pseudo,
  title = {Pseudo-adsorption and long-range redox coupling during oxygen reduction reaction on single atom electrocatalyst},
  author = {Chen†, Jie-Wei and Zhang†, Zisheng and Yan, Hui-Min and Xia, Guang-Jie and Cao, Hao and Wang*, Yang-Gang},
  journal = {Nature communications},
  volume = {13},
  number = {1},
  pages = {1734},
  year = {2022},
  publisher = {Nature Publishing Group UK London},
  doi = {10.1038/s41467-022-29357-7},
}

@article{zhang2020molecular,
  title = {Molecular engineering of dispersed nickel phthalocyanines on carbon nanotubes for selective CO2 reduction},
  author = {Zhang, Xiao and Wang, Yang and Gu, Meng and Wang, Maoyu and Zhang, Zisheng and Pan, Weiying and Jiang, Zhan and Zheng, Hongzhi and Lucero, Marcos and Wang, Hailiang and Sterbinsky, George E and a Qing and Wang*, Yang-Gang and Feng*, Zhengxing and Dai, Hongjie and Liang*, Yongye},
  journal = {Nature Energy},
  volume = {5},
  number = {9},
  pages = {684--692},
  year = {2020},
  publisher = {Nature Publishing Group UK London},
  doi = {10.1038/s41560-020-0667-9},
}

@article{zhang2020ensembles,
  title = {Ensembles of metastable states govern heterogeneous catalysis on dynamic interfaces},
  author = {Zhang, Zisheng and Zandkarimi, Borna and Alexandrova*, Anastassia N},
  journal = {Accounts of chemical research},
  volume = {53},
  number = {2},
  pages = {447--458},
  year = {2020},
  publisher = {American Chemical Society},
  doi = {10.1021/acs.accounts.9b00531},
}

@article{venegas2020boron,
  title = {Why boron nitride is such a selective catalyst for the oxidative dehydrogenation of propane},
  author = {Venegas†, Juan M and Zhang†, Zisheng and Agbi, Theodore O and McDermott, William P and Alexandrova*, Anastassia and Hermans*, Ive},
  journal = {Angewandte Chemie International Edition},
  volume = {59},
  number = {38},
  pages = {16527--16535},
  year = {2020},
  publisher = {Wiley Online Library},
  doi = {10.1002/anie.202003695},
}