Shengbai Zhang

About

My research involves first-principles calculations, theory, and modeling of structural and electronic properties of condensed matter by using the petaflop computational facilities at RPI’s Center for Computational Innovations (CCI). Research directions are largely clean-energy and electronic-applications driven. In particular, I pioneered first-principles theory of defects in semiconductors in the late eighties and since then I have studied numerous defects, especially those in photovoltaic semiconductors. I pioneered first-principles theory of unconventional coordination chemistry of molecular hydrogen on open metal sites as a possible means to store hydrogen on board. I also have a longtime exposure to the physics and chemistry of semiconductor nanostructures and surfaces. In recent years, I study water splitting, ultrafast phase change memory, topological insulators, Weyl semimetals, nano-catalysis, two-dimensional materials, chalcogenide perovskites, monolayer-thick high-temperature superconductor films, and real-time carrier dynamics. I have published 345 peer-reviewed papers in journals such as Phys. Rev. Lett., Nature Comm., PNAS, JACS, Nano Lett. with over 21,000 total citations (Hirsch Index = 69) by Google Scholar’s count and 15,300 (Hirsch Index = 61) by Web of Science's count.

Research

Other Focus Areas

defective materials, topological matters, catalysis, van der Waals materials, perovskites, real-time carrier dynamics

Publications

The following is a selection of recent publications in Scopus. Shengbai Zhang has 496 indexed publications in the subjects of Physics and Astronomy, Materials Science, and Chemistry.

Rafael Besse, Han Wang, Damien West, Juarez L.F. Da Silva, Shengbai Zhang
Journal of Physical Chemistry Letters
, 13
, 2022
, pp.6407-6411
.
S. Xu, S. Zhang, J. D. Kirch, S. Suri, N. Pokharel, H. Gao, H. Kim, P. Dhingra, M. L. Lee, D. Botez, L. J. Mawst
Applied Physics Letters
, 121
, 2022
.
Mei Ge, Han Wang, Jizheng Wu, Chen Si, Junfeng Zhang, Shengbai Zhang
npj Computational Materials
, 8
, 2022
.
Chen Ming, Zhizhong Chen, Fan Zhang, Shuiping Gong, Xiaowei Wu, Jie Jiang, Tang Ye, Qing Xu, Ke Yang, Liang Wang, Xun Cao, Songwang Yang, Shengbai Zhang, Yong Zhang, Jian Shi, Yi Yang Sun
Advanced Functional Materials
, 32
, 2022
.
Mengying Bian, Liang Zhu, Xiao Wang, Junho Choi, Rajesh V. Chopdekar, Sichen Wei, Lishu Wu, Chang Huai, Austin Marga, Qishuo Yang, Yuguang C. Li, Fei Yao, Ting Yu, Scott A. Crooker, Xuemei M. Cheng, Renat F. Sabirianov, Shengbai Zhang, Junhao Lin, Yanglong Hou, Hao Zeng
Advanced Materials
, 34
, 2022
.
Yibo Feng, Cong Wang, Peixin Cui, Chong Li, Bin Zhang, Liyong Gan, Shengbai Zhang, Xiaoxian Zhang, Xiaoyuan Zhou, Zhiming Sun, Kaiwen Wang, Youyu Duan, Hui Li, Kai Zhou, Hongwei Huang, Ang Li, Chunqiang Zhuang, Lihua Wang, Ze Zhang, Xiaodong Han
Advanced Materials
, 34
, 2022
.
Xiaochen Wu, Famin Yu, Weiyu Xie, Zheng Liu, Zhigang Wang, Shengbai Zhang
Journal of Physical Chemistry Letters
, 13
, 2022
, pp.2632-2637
.
Xiaowei Wu, Chen Ming, Jing Shi, Han Wang, Damien West, Shengbai Zhang, Yi Yang Sun
Chinese Physics Letters
, 39
, 2022
.
Chen Ming, Han Wang, Damien West, Shengbai Zhang, Yi Yang Sun
Journal of Materials Chemistry A
, 10
, 2022
, pp.3018-3024
.
Yu Ting Huang, Nian Ke Chen, Zhen Ze Li, Xue Peng Wang, Hong Bo Sun, Shengbai Zhang, Xian Bin Li
InfoMat
, 4
, 2022
.

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