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[1] Hang Yin, Ming-Yue Sui, Qing-Qing Pan, Guang-Yan Sun, Yun Geng, A Series of Bowl-Shaped PDI Dimers Designed for Organic Photovoltaic Cells through Engineering N-Annulated Bridge towards Potential Alternatives of PDI Bridged Dimer Acceptors. Dyes and Pigments, 2018, 148, 394-404.
[2] Ming-Yue Sui, Yun Geng, Guang-Yan Sun, Jian-Ping Wang, Construction of 9, 9’-Bifluorenylidene-based Small Molecule Acceptor Material by Screening Conformation, Steric Configuration and Repeating Unit Number: A Theoretical Design and Characterization. Journal of Materials Chemistry C, 2017, 5, 10343-10352.
[3] Ying-Chen Duan, Yong Wu, Xin-Yao Ren, Liang Zhao, Yun Geng, Min Zhang, Guang-Yan Sun, and Zhong-Min Su, From blue to full color - theoretical design and characterization of a series of Ir(III) complexes containing azoline ligand with potential application in OLED. Dalton Transactions, 2017, 46, 11491-11502.
[4] Jie Pan, Hang Yin, Yu-Zhong Xie, Guang-Yan Sun, Zhong-Min Su The conversion of donor to acceptor and rational design for diketopyrrolopyrrole-containing small molecule acceptors by introducing nitrogen-atoms for organic solar cells. RSC Advances 2017, 7, 31800–31806.
[5] Zhong-Bin Nie, Min Zhang, Tan Su, Liang Zhao, Yuan-Yuan Wang, Guang-Yan Sun and Zhong-Min Su, Electrochemical and diffuse reflectance study on tetrahedral 3- Keggin-based metal–organic frameworks. RSC Advance., 2017, 7, 31544–31548.
[6] Ming-Yue Sui, Qing Qing Pan, Hang Yin, Guang-Yan Sun, Yun Geng, and Zhong-Min Su Design of Hexabenzocoronene Derivatives as Non-Fullerene Acceptors in Organic Photovoltaics by Bridging Dimers and Modulating Structural Twists. Solar RRL 2017, 1, 1700060.
[7] Hang Yin, Yun Geng, Guang-Yan Sun, Zhong-Min Su, Theoretical Design of High-Performance Perylene Diimide Dimers with Different Linkers and Bridged Position as Non-Fullerene Acceptors for Organic Photovoltaic Cells. Journal of Physical Chemistry C 2017, 121, 2125−2134.
[8] Mingyue Sui, Shuangbao Li, Qingqing Pan, Guangyan Sun, Yun Geng Theoretical Characterization on Photoelectric Properties of Benzothiadiazole- and Fluorene-based Small Molecule Acceptor Materials for the Organic Photovoltaics. Journal of Molecular Modeling 2017, 23, 28 (1-8)
[9] Qing-Qing Pan, Shuang-Bao Li, Yong Wu, Guang-Yan Sun, Yun Geng Zhong-Min Su A Comparative Study of a Fluorene-based Non fullerene Electron Acceptor and PC61BM in Organic Solar Cell-at Quantum Chemical Level RSC Advance., 2016, 6, 81164–81173.
[10] Shuang-Bao Li, Yun Geng, Yu-Ai Duan, Guang-Yan Sun, Min Zhang, Yong-Qing Qiu, Zhong-Min Su. Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics? J. Chem. Phys. 2016, 145, 244705-(1-9).
[11] Wei Du, Hai-Bin Li, Dong-Mei Gu, Yong Wu, Guang-Yan Sun, Yun Geng Zhong-Min Su Rational modifications on ruthenium terpyridine sensitizers with large Jsc for dye-sensitized solar cells: combined DFT and relativistic TDDFT studies RSC Advance., 2015, 5, 100169–100175.
[12] Zhou, X.; Jin, X. J.; Sun, G. Y.; Li, D. H.; Wu, X.*, A sensitive and selective fluorescent probe for cysteine based on a new response-assisted electrostatic attraction strategy: the role of spatial charge configuration, Chemistry-A European Journal, 2013, 19, 7817.
[13] Zheng, N. J.; Li, H. D.; Sun, G. Y.; Zhong, K. L.; Yin, B. Z.*,Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene, Org. Biomol. Chem., 2013, 11, 5100.
[14] Sun, G. Y.; Wu, S. X.; Geng, Y; Li, H. B.; Wu, Y.; Su, Z. M.*, Toward design of high-performance optoelectronic materials: comparative theoretical studies on the photophysical and charge transport properties of fluorene-based compounds. Theor. Chem. Acc., 2012, 131, 1176.
[15] Sun, G. Y.; Li, H. B.; Geng, Y; Su, Z. M.*, Potential of bifluorenylidene derivatives as nonfullerene small-molecule acceptor for heterojunction organic photovoltaics: a density functional theory study. Theor. Chem. Acc., 2012, 131, 1099.
[16] Sun, G. Y.; Li, H. B.; Geng, Y; Duan, Y. A.; Tang, X. D.; Su, Z. M.*; Zhou, Z. Y., Theory Study on Charge Transfer Properties of Carbazole Derivative (DiPICz). Chem. J. Chinese Universities, 2012, 33, 794.
[17] Zhou, X.; Jin, X. J.; Sun, G. Y.; Li, D. H.; Wu, X.*, A Cysteine Probe with High Selectivity and Sensitivity Promoted by Response-assisted Electrostatic Attraction. Chem. Commun., 2012, 48, 8793.
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