Research Areas

Design of new optoelectronic, photocatalytic, and corrosion-inhibiting materials (dye-sensitized solar cells, organic-inorganic hybrid perovskite cells, double perovskite cells, photocatalytic hydrogen production photosensitizers, etc.)

●Shale gas adsorption and carbon dioxide capture in porous materials

●Molecular dynamics study of electron transfer between materials and surfaces

●Machine learning applied to the screening and discovery of intelligent new materials

Publications

[1] Zhenqing Yang§,Chunmeng Liu§, Kuan Li, Jacqueline M. Cole*,Changjin Shao* and Dapeng Cao* Rational Design of Dithienopicenocarbazole-based Dyes and a Prediction of their Energy-Conversion Efficiency Characteristics for Dye-Sensitized Solar Cells. ACS Applied Energy Materials.，2018,1, 1435-1444. DOI: 10.1021/acsaem.7b00154


[2] Chundan Lin§, Siyuan Li§, Wansong Zhang, Changjin Shao and Zhenqing Yang*.Effect of Br Doping on the Optical Absorption and Ion Migration in MAPbI3 Perovskite Solar Cells: The First-Principles Study. ACS Applied Energy Materials.，2018,1, 1374-1380.


[3] Juan Li§, Shijie Zhang§, Di Shao§,Zhenqing Yang*and Wansong Zhang*.Effect of auxiliary group for p-type organic dyes in NiO-based dye-sensitized solar cells: the first principal study. SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy., 2018,193,192-196. https://doi.org/10.1016/j.saa.2017.12.012


[4] Zhenqing Yang§,* , Di Shao§, Juan Li, Lian Tang and Changjin Shao*.Design of Butterfly Type Organic Dye Sensitizers with Double Electron Donors: The First Principle Study. SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy., 2018,196,385-391. https://doi.org/10.1016/j.saa.2018.02.002


[5] Yun Liu, Di Shao, Xiaohui Bai, Zhenqing Yang,* Chundan Lin and Changjin Shao. Function of -CN Group in Organic Sensitizers: the First Principle Study.


[6] SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy.,2017,179,227-232. http://dx.doi.org/10.1016/j.saa.2017.01.054


[7] Zhenqing Yang*, Yun Liu, Chunmeng Liu, Chundan Lin and Changjin Shao.TDDFT Screening Auxiliary Withdrawing Group and Design the Novel D-A-π-A Organic Dyes Based on Indoline Dye for Highly Efficient Dye-Sensitized Solar Cells.


[8] SpectrochimicaActa Part A: Molecular and Biomolecular Spectroscopy,2016,167.127-133. http://dx.doi.org/10.1016/j.saa.2016.05.041


[9] Zhenqing Yang, ChunmengLiu, Changjin Shao, XiaofeiZeng and Dapeng Cao*.Screening π-conjugated bridges of organic dyes for dye-sensitized solar cells with panchromatic visible light harvesting.Nanotechnology,2016,27,265701. doi:10.1088/0957-4484/27/26/265701