Publications

@article{raciti2026o2,
  title={O2 Reduction Stimulates Adatom Generation on Cu(111) Catalyzing Hydrogen Evolution},
  author={Raciti*, David and Zhang*, Zisheng and Guo, Ally and Moffat*, Thomas P},
  journal={Journal of the American Chemical Society},
  publisher={American Chemical Society},
  year={2026},
  volume={148},
  number={7},
  pages={7401--7414},
  doi={10.1021/jacs.5c20244}
}

@article{mckeowngreen2026ammonia,
  title={Ammonia Catalyst Evolution Under Reactor Conditions Revealed by Environmental and Multimodal Electron Microscopy},
  author={McKeown-Green†*, Amy S and Moradifar†*, Parivash and Zhang, Zisheng and Lim, Cedric and Barnum, Andrew and Yuan, Lin and Sinclair, Robert and Abild-Pedersen, Frank and Ophus, Colin and Dionne*, Jennifer A},
  journal={arXiv preprint arXiv:2602.00433},
  year={2026},
  doi={10.48550/arXiv.2602.00433}
}

@article{goswami2025co2,
  title={CO2 Electroreduction on Borated Copper Surfaces: Boron Active Sites, not Copper},
  author={Goswami, Anubhav and Zhang, Zisheng and Alexandrova*, Anastassia N},
  journal={ACS Catalysis},
  year={2026},
  note={Accepted in ACS Catalysis; preprint available on ChemRxiv}
}

@article{zhang2026dopant,
  title={Dopant-dependent boron arrangement and chemistry of metal boride surface},
  author={Zhang, Zisheng and Abild-Pedersen*, Frank},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2026},
  volume={16},
  number={2},
  pages={1729--1737},
  doi={10.1021/acscatal.5c08265}
}

@article{zhang2025off,
  title={Off-equilibrium reactivity of boron-enriched metal diboride surfaces in electroreduction conditions},
  author={Zhang, Zisheng and Abild-Pedersen*, Frank},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2025},
  volume={15},
  number={14},
  pages={12340--12350},
  doi={10.1021/acscatal.5c04054}
}

@article{choi2025amine,
  title={Amine Structure Governs Corrosion Rates of Copper Catalysts in Electrochemical Reactive Capture of CO2},
  author={Choi, Jounghwan and Banerjee, Avishek and Ross, R Dominic and Zhang, Zisheng and Chiu, Shawn and Sacci, Robert L and Veith, Gabriel M and Hahn, Christopher and Alexandrova*, Anastassia N and Morales-Guio*, Carlos G},
  journal={The Journal of Physical Chemistry C},
  publisher={American Chemical Society},
  year={2025},
  volume={129},
  number={36},
  pages={16009--16019},
  doi={10.1021/acs.jpcc.5c03178}
}

@article{zhang2025non,
  title={Non-equilibrium restructurings in catalysis: A chemical space odyssey},
  author={Zhang*, Zisheng and Zhou, Xuening},
  journal={MRS Communications},
  publisher={Springer International Publishing},
  year={2025},
  volume={15},
  number={6},
  pages={1--13},
  doi={10.1557/s43579-025-00902-x}
}

@article{zhang2025unlocking,
  title={Unlocking Switchable Reactivity of MBene via Asymmetric Surface Adsorption},
  author={Zhang, Zisheng and Abild-Pedersen*, Frank},
  journal={The Journal of Physical Chemistry Letters},
  publisher={American Chemical Society},
  year={2025},
  volume={16},
  number={49},
  pages={12619--12624},
  doi={10.1021/acs.jpclett.5c03160}
}

@article{wei2025role,
  title={Role of surface hydroxyls in atomic-scale copper restructuring during CO electroreduction},
  author={Wei, Jie and Zhang, Zisheng and Gee, Winston and Wei, Yu and Zhou, Ya-Wei and Herran, Matias and Sautet, Philippe and Alexandrova, Anastassia N and Roldan Cuenya, Beatriz and Kley*, Christopher S},
  journal={Journal of the American Chemical Society},
  publisher={American Chemical Society},
  year={2025},
  volume={147},
  number={49},
  pages={45178--45188},
  doi={10.1021/jacs.5c14516}
}

@article{yin2025alphanet,
  title={AlphaNet: scaling up local-frame-based neural network interatomic potentials},
  author={Yin†, Bangchen and Wang†*, Jiaao and Du, Weitao and Wang, Pengbo and Ying, Penghua and Jia, Haojun and Zhang, Zisheng and Du*, Yuanqi and Gomes, Carla and Duan*, Chenru and Henkelman*, Graeme and Xiao*, Hai},
  journal={npj Computational Materials},
  publisher={Nature Publishing Group UK London},
  year={2025},
  volume={11},
  number={1},
  pages={332},
  doi={10.1038/s41524-025-01817-w}
}

@article{cheng2025structure,
  title={Structure Sensitivity and Catalyst Restructuring for CO2 Electro-reduction on Copper},
  author={Cheng, Dongfang and Nguyen, Khanh-Ly C and Sumaria, Vaidish and Wei, Ziyang and Zhang, Zisheng and Gee, Winston and Li, Yichen and Morales-Guio, Carlos G and Heyde, Markus and Cuenya, Beatriz Roldan and Alexandrova*, Anastassia N and Sautet*, Philippe},
  journal={Nature Communications},
  publisher={Nature Publishing Group UK London},
  year={2025},
  volume={16},
  number={1},
  pages={4064},
  doi={10.1038/s41467-025-59267-3}
}

@article{li2025size,
  title={Size-dependent effects of Ge addition on the coking and sintering tendency of PtnGem/alumina (n= 4, 7, 11) model catalysts},
  author={Li, Guangjing and Chiu, Shawn and Morgan, Harry W T and Fuchs, Autumn T and Isakov, Avital and Poths, Patricia and Zhang, Zisheng and Alexandrova*, Anastassia N and Anderson, Scott L},
  journal={Journal of Catalysis},
  publisher={Elsevier},
  year={2025},
  volume={448},
  pages={116196},
  doi={10.1016/j.jcat.2025.116196}
}

@article{wan2025reorganizing,
  title={Reorganizing the Pt surface water structure for highly efficient alkaline hydrogen oxidation reaction},
  author={Wan, Chengzhang and Zhang, Zisheng and Wang, Sibo and Sun, Qiang and Liu, Ershuai and Pu, Heting and Zhang, Ao and Chen, Zhengyue and Shah, Aamir Hassan and Fu, Xiaoyang and Alexandrova, Anastassia N. and Jia, Qingying and Huang*, Yu and Duan*, Xiangfeng},
  journal={Journal of the American Chemical Society},
  year={2025},
  volume={147},
  number={14},
  pages={12162--12169},
  doi={10.1021/jacs.5c00775}
}

@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},
  publisher={Royal Society of Chemistry},
  year={2025},
  volume={27},
  number={2},
  pages={696--706},
  doi={10.1039/D4CP03801K}
}

@article{lavroff2024cu,
  title={Cu-Supported ZnO under Conditions of CO2 Reduction to Methanol: Why 0.2 ML Coverage?},
  author={Lavroff, Robert H and Cummings, Edison and Sawant, Kaustubh and Zhang, Zisheng and Sautet, Philippe and Alexandrova, Anastassia N},
  journal={The Journal of Physical Chemistry Letters},
  publisher={American Chemical Society},
  year={2024},
  volume={15},
  number={47},
  pages={11745--11752}
}

@article{doi:10.1126/science.adm9814,
  title={Synthesis and characterization of low-dimensional N-heterocyclic carbene lattices},
  author={Boyu Qie and Ziyi Wang and Jingwei Jiang and Zisheng Zhang and Peter H. Jacobse and Jiaming Lu and Xinheng Li and Fujia Liu and Anastassia N. Alexandrova and Steven G. Louie and Michael F. Crommie and Felix R. Fischer},
  journal={Science},
  year={2024},
  volume={384},
  number={6698},
  pages={895-901},
  doi={10.1126/science.adm9814}
}

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

@article{shah2024jacs,
  title={Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media},
  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},
  journal={Journal of the American Chemical Society},
  year={2024},
  volume={146},
  number={14},
  pages={9623--9630}
}

@article{yan2024coverage,
  title={Coverage-Induced Cation Dehydration and Migration for Enhanced CO--CO Coupling on Cu Electrocatalysts},
  author={Yan, Hui-Min and Zhang, Zisheng and Wang*, Yang-Gang},
  journal={ACS Catalysis},
  publisher={ACS Publications},
  year={2024},
  volume={14},
  pages={3596--3605}
}

@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},
  publisher={ACS Publications},
  year={2024},
  volume={57},
  number={2},
  pages={198--207}
}

@article{cendejas2023tracking,
  title={Tracking Active Phase Behavior on Boron Nitride during the Oxidative Dehydrogenation of Propane Using Operando X-Ray Raman Spectroscopy},
  author={Cendejas, Melissa C and Paredes Mellone, Oscar A and Kurumbail, Unni and Zhang, Zisheng and Jansen, Jacob H and Ibrahim, Faysal and Dong, Son and Vinson, John and Alexandrova, Anastassia N and Sokaras, Dimosthenis and others},
  journal={Journal of the American Chemical Society},
  publisher={ACS Publications},
  year={2023},
  volume={145},
  number={47},
  pages={25686--25694}
}

@article{yu2023kinetic,
  title={Kinetic pathways of fast lithium transport in solid electrolyte interphases with discrete inorganic components},
  author={Yu†, Yikang and Koh†, Hyeongjun and Zhang†, Zisheng and Yang, Zhenzhen and Alexandrova, Anastassia N and Agarwal, Mangilal and Stach, Eric A and Xie, Jian},
  journal={Energy \& Environmental Science},
  publisher={Royal Society of Chemistry},
  year={2023},
  volume={16},
  number={12},
  pages={5904--5915}
}

@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},
  year={2023},
  volume={145},
  number={31},
  pages={17265-17273},
  doi={10.1021/jacs.3c04613}
}

@article{cao2023engineering,
  title={Engineering Single-Atom Electrocatalysts for Enhancing Kinetics of Acidic Volmer Reaction},
  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},
  journal={Journal of the American Chemical Society},
  year={2023},
  volume={145},
  number={24},
  pages={13038-13047},
  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},
  publisher={Nature Publishing Group UK London},
  year={2023},
  volume={22},
  pages={1022-1029},
  doi={10.1038/s41563-023-01584-3}
}

@article{zheng2023dispersed,
  title={Dispersed Nickel Phthalocyanine Molecules on Carbon Nanotubes as Cathode Catalysts for Li-CO2 Batteries},
  author={Zheng, Hongzhi and Li, Huan and Zhang, Zisheng and Wang, Xiaojun and Jiang, Zhan and Tang, Yirong and Zhang, Jibo and Emley, Benjamin and Zhang, Ye and Zhou, Hua and Yao*, Yan and Liang*, Yongye},
  journal={Small},
  year={2023},
  volume={accepted}
}

@article{cheng2023restructuring,
  title={Restructuring and Activation of Cu (111) under Electrocatalytic Reduction Conditions},
  author={Cheng, Dongfang and Wei, Ziyang and Zhang, Zisheng and Broekmann, Peter and Alexandrova*, Anastassia N and Sautet*, Philippe},
  journal={Angewandte Chemie International Edition},
  publisher={Wiley Online Library},
  year={2023},
  volume={135},
  number={20},
  pages={e202218575},
  doi={10.1002/anie.202218575}
}

@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},
  publisher={Wiley Online Library},
  year={2023},
  volume={135},
  number={20},
  pages={e202218210},
  doi={10.1002/anie.202218210}
}

@article{zito2022electrochemical,
  title={Electrochemical Carbon Dioxide Capture and Concentration},
  author={Zito, Alessandra and Clarke, Lauren and Barlow, Jeffrey and Bim, Daniel and Zhang, Zisheng and Ripley, Katelyn and Li, Clarabella and Kummeth, Amanda and Leonard, McLain and Alexandrova*, Anastassia N and Brushett*, Fikile R and Yang*, Jenny Y},
  journal={Chemical Reviews},
  year={2023},
  volume={123},
  number={13},
  pages={8069-8098},
  doi={10.1021/acs.chemrev.2c00681}
}

@article{poths2023got,
  title={Got Coke? Self-Limiting Poisoning Makes an Ultra Stable and Selective Sub-Nano Cluster Catalyst},
  author={Poths, Patricia and Li, Guangjing and Masubuchi, Tsugunosuke and Morgan, Harry WT and Zhang, Zisheng and Alexandrova*, Anastassia N and Anderson*, Scott L},
  journal={ACS Catalysis},
  publisher={ACS Publications},
  year={2023},
  volume={13},
  number={2},
  pages={1533--1544},
  doi={10.1021/acscatal.2c05634}
}

@article{jiang2022molecular,
  title={Molecular Catalyst with Near 100\% Selectivity for CO2 Reduction in Acidic Electrolytes},
  author={Jiang, Zhan and Zhang, Zisheng and Li, Huan and Tang, Yirong and Yuan, Yubo and Zao, Jie and Zheng, Hongzhi and Liang*, Yongye},
  journal={Advanced Energy Materials},
  year={2022},
  volume={13},
  number={6},
  pages={2203603},
  doi={10.1002/aenm.202203603}
}

@article{munarriz2022graphite,
  title={Graphite-supported Pt n Cluster Electrocatalysts: Major Change of Active Sites as a Function of the Applied Potential},
  author={Munarriz, Julen and Zhang, Zisheng and Sautet*, Philippe and Alexandrova*, Anastassia N},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2022},
  volume={12},
  number={23},
  pages={14517--14526},
  doi={10.1021/acscatal.2c04643}
}

@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},
  publisher={Nature Publishing Group UK London},
  year={2022},
  volume={5},
  number={10},
  pages={923--933},
  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},
  publisher={American Chemical Society},
  year={2022},
  volume={144},
  number={42},
  pages={19284--19293},
  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},
  publisher={Royal Society of Chemistry},
  year={2022},
  volume={51},
  pages={8415--8433},
  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},
  publisher={National Academy of Sciences},
  year={2022},
  volume={119},
  number={25},
  pages={e2123496119},
  doi={10.1073/pnas.2123496119}
}

@article{zhang2022fluxionality,
  title={Fluxionality of Subnano Clusters Reshapes the Activity Volcano of Electrocatalysis},
  author={Zhang, Zisheng and Zandkarimi, Borna and Munarriz, Julen and Dickerson, Claire E and Alexandrova*, Anastassia N},
  journal={ChemCatChem},
  publisher={Wiley Online Library},
  year={2022},
  volume={14},
  number={15},
  pages={e202200345},
  doi={10.1002/cctc.202200345}
}

@article{zhao2022modeling,
  title={Modeling the Potential-Dependent Kinetics of CO2 Electroreduction on Single-Nickel Atom Catalysts with Explicit Solvation},
  author={Zhao, Hongyan and Cao, Hao and Zhang, Zisheng and Wang*, Yang-Gang},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2022},
  volume={12},
  number={18},
  pages={11380--11390},
  doi={10.1021/acscatal.2c02383}
}

@article{lavroff2022ensemble,
  title={Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between},
  author={Lavroff, Robert H and Morgan, Harry WT and Zhang, Zisheng and Poths, Patricia and Alexandrova*, Anastassia N},
  journal={Chemical science},
  publisher={Royal Society of Chemistry},
  year={2022},
  volume={13},
  number={27},
  pages={8003--8016},
  doi={10.1039/D2SC01367C}
}

@article{cao2022potential,
  title={Potential-dependent free energy relationship in interpreting the electrochemical performance of CO2 reduction on single atom catalysts},
  author={Cao†, Hao and Zhang†, Zisheng and Chen, Jie-Wei and Wang*, Yang-Gang},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2022},
  volume={12},
  number={11},
  pages={6606--6617},
  doi={10.1021/acscatal.2c01470}
}

@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},
  publisher={Nature Publishing Group UK London},
  year={2022},
  volume={13},
  number={1},
  pages={1734},
  doi={10.1038/s41467-022-29357-7}
}

@article{wang2022theory,
  title={Theory-driven design of electrocatalysts for the two-electron oxygen reduction reaction based on dispersed metal phthalocyanines},
  author={Wang†, Yang and Zhang†, Zisheng and Zhang, Xiao and Yuan, Yubo and Jiang, Zhan and Zheng, Hongzhi and Wang, Yang-Gang and Zhou, Hua and Liang*, Yongye},
  journal={CCS Chemistry},
  publisher={Chinese Chemical Society Zhongguancun, Haidian, Beijing 100190, China},
  year={2022},
  volume={4},
  number={1},
  pages={228--236},
  doi={10.31635/ccschem.021.202000590}
}

@article{zhang2021molecular,
  title={Molecular design of dispersed nickel phthalocyanine@ nanocarbon hybrid catalyst for active and stable electroreduction of CO2},
  author={Zhang, Zisheng and Wang*, Yang-Gang},
  journal={The Journal of Physical Chemistry C},
  publisher={American Chemical Society},
  year={2021},
  volume={125},
  number={25},
  pages={13836--13849},
  doi={10.1021/acs.jpcc.1c02508}
}

@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},
  publisher={Nature Publishing Group UK London},
  year={2020},
  volume={5},
  number={9},
  pages={684--692},
  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},
  publisher={American Chemical Society},
  year={2020},
  volume={53},
  number={2},
  pages={447--458},
  doi={10.1021/acs.accounts.9b00531}
}

@article{zhang2020hydrogen,
  title={Hydrogen evolution on restructured B-rich WB: metastable surface states and isolated active sites},
  author={Zhang, Zisheng and Cui, Zhi-Hao and Jimenez-Izal, Elisa and Sautet*, Philippe and Alexandrova*, Anastassia N},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2020},
  volume={10},
  number={23},
  pages={13867--13877},
  doi={10.1021/acscatal.0c03410}
}

@inproceedings{venegas2020investigating,
  title={Investigating Surface and Gas-Phase Chemistries during the Boron Nitride-Catalyzed 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},
  booktitle={2020 Virtual AIChE Annual Meeting},
  year={2020}
}

@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},
  publisher={Wiley Online Library},
  year={2020},
  volume={59},
  number={38},
  pages={16527--16535},
  doi={10.1002/anie.202003695}
}

@inproceedings{zhang2019dynamic,
  title={Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride in Conditions of Oxidative Dehydrogenation of Propane},
  author={Zhang, Zisheng and Jimenez-Izal, Elisa and Hermans, Ive and Alexandrova, Anastassia N},
  booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year={2019},
  volume={257}
}

@article{wang2019phthalocyanine,
  title={Phthalocyanine precursors to construct atomically dispersed iron electrocatalysts},
  author={Wang, Yang and Wang, Maoyu and Zhang, Zisheng and Wang, Qi and Jiang, Zhan and Lucero, Marcos and Zhang, Xing and Li, Xiaoxiao and Gu*, Meng and Feng*, Zhenxing and Liang8, yongye},
  journal={ACS Catalysis},
  publisher={American Chemical Society},
  year={2019},
  volume={9},
  number={7},
  pages={6252--6261},
  doi={10.1021/acscatal.9b01617}
}

@article{zhong2019comparison,
  title={Comparison of TiO 2 and gC 3 N 4 2D/2D nanocomposites from three synthesis protocols for visible-light induced hydrogen evolution},
  author={Zhong, Ruyi and Zhang, Zisheng and Luo, Shuqi and Zhang, Z Conrad and Huang*, Limin and Gu*, Meng},
  journal={Catalysis Science \& Technology},
  publisher={Royal Society of Chemistry},
  year={2019},
  volume={9},
  number={1},
  pages={75--85}
}

@article{zhang2018dynamic,
  title={Dynamic phase diagram of catalytic surface of hexagonal boron nitride under conditions of oxidative dehydrogenation of propane},
  author={Zhang, Zisheng and Jimenez-Izal, Elisa and Hermans, Ive and Alexandrova*, Anastassia N},
  journal={The journal of physical chemistry letters},
  publisher={ACS Publications},
  year={2018},
  volume={10},
  number={1},
  pages={20--25},
  doi={10.1021/acs.jpclett.8b03373}
}

@article{zhang2018nickel,
  title={Nickel bis (dithiolene) complexes for electrocatalytic hydrogen evolution: A computational study},
  author={Zhang, Zisheng and Yang, Tilong and Qin, Peng and Dang*, Li},
  journal={Journal of Organometallic Chemistry},
  publisher={Elsevier},
  year={2018},
  volume={864},
  pages={143--147}
}

@article{zhong2018covalently,
  title={Covalently bonded 2D/2D Og-C3N4/TiO2 heterojunction for enhanced visible-light photocatalytic hydrogen evolution},
  author={Zhong†, Ruyi and Zhang†, Zisheng and Yi, Huqiang and Zeng, Lei and Tang, Chao and Huang*, Limin and Gu*, Meng},
  journal={Applied Catalysis B: Environmental},
  publisher={Elsevier},
  year={2018},
  volume={237},
  pages={1130--1138},
  doi={10.1016/j.apcatb.2017.12.066}
}

@article{zhang2017highly,
  title={Highly selective and active CO2 reduction electrocatalysts based on cobalt phthalocyanine/carbon nanotube hybrid structures},
  author={Zhang, Xing and Wu, Zishan and Zhang, Xiao and Li, Liewu and Li, Yanyan and Xu, Haomin and Li, Xiaoxiao and Yu, Xiaolu and Zhang, Zisheng and Liang*, Yongye and Wang*, hailiang},
  journal={Nature communications},
  publisher={Nature Publishing Group UK London},
  year={2017},
  volume={8},
  number={1},
  pages={14675},
  doi={10.1038/ncomms14675}
}