Category Archives: Publications


  1. Pietro P. Lopes, Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo  Bergamo Dias Martins, Dusan Strmcnik, Vojislav R. Stamenkovic, Peter Zapol, J. F. Mitchell, Robert F. Klie and Nenad M. Markovic, “Dynamically Stable Active Sites from Surface Evolution of Perovskite Materials during the Oxygen Evolution Reaction”, J. Am. Chem. Soc. (2021) online.


  1. Haiping Xu, Dominic Rebollar, Haiying He, Lina Chong, Yuzi Liu, Cong Liu, Cheng-Jun Sun, Tao Li, John V. Muntean, Randall E. Winans, Di-Jia Liu, and Tao Xu, “Highly selective electrocatalytic CO2 reduction to ethanol by metallic clusters dynamically formed from atomically dispersed copper”, Nature Energy, 5, 623–632 (2020).
  2. Ke Lu, Haiping Xu, Haiying He, Siyuan Gao, Xun Li, Chong Zheng, Tao Xu, and Yingwen Cheng, “Modulating Reactivity and Stability of Metallic Lithium via Atomic Doping”,
    Journal of Materials Chemistry A, 8, 10363-10369 (2020).
  3. Dong Young Chung, Pietro P. Lopes, Pedro F. B. D. Martins, Haiying He, Tomoya Kawaguchi, Peter Zapol, Hoydoo You, Dusan Tripkovic, Dusan Strmcnik, Soenke Seifert, Sungsik Lee, Vojislav R. Stamenkovic, and Nenad M. Markovic, “Dynamic Stability of Active Sites in Hydr(oxy)oxides for Oxygen Evolution Reaction”, Nature Energy, 5, 222 (2020).
  4. Xun Li, Fei Zhang, Haiying He, Joseph J. Berry, Kai Zhu, and Tao Xu, “On-Device Lead Sequestration for Perovskite Solar Cells”, Nature, 578, 555 (2020).
  5. Deobrat Singh, Sanjeev K.Gupta, Haiying He, and Yogesh Sonvane, “First-principles Study of the Electronic, Magnetic and Optical Properties of Fe3Se4 in its Monoclinic Phase”, Journal of Magnetism and Magnetic Materials, 498, 166157 (2020).


  1. Yan Yang, Huiqin Yao, Zihuan Yu, Saiful M. Islam, Haiying He,  Mengwei Yuan, Yonghai Yue, Kang Xu, Weichang Hao, Genban Sun, Huifeng Li, Shulan Ma, Peter Zapol, and Mercouri G. Kanatzidis, “Hierarchical Nanoassembly of MoS2/Co9S8/Ni3S2/Ni as a Highly Efficient Wide-pH Range Electrocatalyst for Overall Water Splitting”, Journal of the American Chemical Society, 141, 10417-10430 (2019).
  2. Yesukhei Jagvaral, Qing Guo, Haiying He and Ravindra Pandey, “Silicene-Supported TiO2  nanostructures: Theoretical Study of Electronic and Optical Properties”, Physical Chemistry Chemical Physics, 21, 9335-9341 (2019).


1. Christopher Morrissey and Haiying He, “Silicene Catalyzed Reduction of Nitrobenzene to Aniline: a Mechanistic Study”, Chemical Physics Letters, 695, 228–234 (2018).

2. Yesukhei Jagvaral, Haiying He and Ravindra Pandey, “Interaction of Silicene with Amino Acid Analogues—from Physical to Chemical Adsorption in Gas and Solvated Phases”, 2D Materials 5, 015012 (2018).

3. Haiying He, Christopher Morrissey, Larry A. Curtiss, and Peter Zapol, “Graphene-Supported Monometallic and Bimetallic Dimers for Electrochemical CO2 Reduction”, J. Phys. Chem. C 122, 28629–28636 (2018).


  1. Haiying He and Yesukhei Jagvaral, “Electrochemical Reduction of CO2 on Graphene Supported Transition Metals – Towards Single Atom Catalysts”, Physical Chemistry Chemical Physics, 19, 11436 – 11446 (2017).
  2. Sanjeev K. Gupta, Haiying He, Igor Lukačević, and Ravindra Pandey, “Spin-dependent electron transport in C and Ge doped BN monolayer”, Physical Chemistry Chemical Physics, 19, 30370 (2017).




  1. Haiying He, Stephen Sekoulopoulos, and Stan Zygmunt, “Single Electron Activation of CO2 on Graphene-Supported ZnO Nanoclusters: Effects of Doping in Support”, The Journal of Physical Chemistry C, 120 (30), 16732–16740 (2016).


  1. Zhoufei Wang, Haiying He, William Slough, Ravindra Pandey, and Shashi P. Karna, “Nature of Interaction between Semiconducting Nanostructures and Biomolecules: Chalcogenide QDs and BNNT with DNA Molecules”, The Journal of Physical Chemistry C, 119 (46), 25965–25973 (2015).
  2. Kelsey Larson, Adam Clark, Allyse Appel, Qingli Dai, Haiying He and Stan Zygmunt, “Surface-Dependence of Interfacial Binding Strength between Zinc Oxide and Graphene”, RSC Advances, 5, 65719-65724 (2015).
  3. Sanjeev K. Gupta, Haiying He, Chunhui Liu, Ranu Dutta, and Ravindra Pandey, “Interaction of Metallic Clusters with Biologically Active Curcumin Molecules”, Chemical Physics Letters, 636, 163–166 (2015).
  4. Ashok Kumar, Haiying He, Ravindra Pandey, P. K. Ahluwaliad and K. Tankeshwar, “Pressure and electric field-induced metallization in the phase-engineered ZrX2 (X=S,Se,Te) bilayers”, Physical Chemistry Chemical Physics, 17, 19215-19221 (2015).