Search Results - "Li, Yuanzuo"

Ascertaining p,p′-Dimercaptoazobenzene Produced from p-Aminothiophenol by Selective Catalytic Coupling Reaction on Silver Nanoparticles by Fang, Yurui, Li, Yuanzuo, Xu, Hongxing, Sun, Mengtao

“…Combining experiment and theory, evidence from surface-enhanced Raman scattering (SERS) were obtained for p,p′-dimercaptoazobenzene (DMAB) produced from…”
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Theoretical Characterization of the PC60BM:PDDTT Model for an Organic Solar Cell by Li, Yuanzuo, Pullerits, Tonu, Zhao, Meiyu, Sun, Mengtao

“…We use time-dependent density functional theory together with a set of extensive multidimensional visualization techniques to characterize band gap, optical…”
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Designing small molecule hole transport materials for high hole mobility by core structure substitution: a DFT investigation by Huang, Yuqiang, Li, Yuanzuo

“…Hole transport materials (HTMs) are indispensable for achieving high-performance perovskite optoelectronic devices. We have designed hole transport layer…”
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Comparison of the excited-state proton transfer and single electron transfer mechanisms of the natural antioxidant Juglone and its dimer 3,3′-bijuglone by Shang, Changjiao, Cao, Yunjian, Sun, Chaofan, Li, Yuanzuo

“…[Display omitted] •The ESIDPT reaction for BJu is stepwise rather than concerted.•ICT process causes the fluorescence quenching phenomenon of Ju.•Dimerization…”
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An Experimental and Theoretical Investigation of the Electronic Structures and Photoelectrical Properties of Ethyl Red and Carminic Acid for DSSC Application by Sun, Chaofan, Li, Yuanzuo, Song, Peng, Ma, Fengcai

“…The photoelectrical properties of two dyes-ethyl red and carminic acid-as sensitizers of dye-sensitized solar cells were investigated in experiments herein…”
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External Electric Field-Dependent Photoinduced Charge Transfer in a Donor–Acceptor System for an Organic Solar Cell by Song, Peng, Li, Yuanzuo, Ma, Fengcai, Pullerits, Tõnu, Sun, Mengtao

“…External electric field is incorporated into the generalized Mulliken–Hush model and Marcus theory. With this new development, we have investigated the…”
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First-principles prediction of structural, mechanical and thermal properties of perovskite BaZrS3 by Zhang, Ping, Chen, Baishu, Zhu, Wenxia, Wang, Chang, Zhang, Wei, Li, Yuanzuo, Liu, Weilong

“…The structural, mechanical and thermal properties of perovskite BaZrS 3 have been investigated in terms of first-principles plane-wave pseudopotential method…”
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Optoelectronic performance and co-sensitized excited states characteristics of organic dyes with naphthobisthiadiazole and benzothiadiazole by Li, Baishuo, Han, Jiayu, Song, Peng, Li, Yuanzuo

“…Photosensitizer systems play a crucial role in light absorption and charge transfer processes. Designing and selecting dye molecules with exceptional…”
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Theoretical Investigation on Photophysical Properties of Triphenylamine and Coumarin Dyes by Li, Xinrui, Song, Peng, Zhao, Dongpeng, Li, Yuanzuo

“…Organic molecules with donor and acceptor configures are widely used in optoelectronic materials. Triphenylamine dyes (TPCTh and TPCRh) are investigated via…”
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Screening of functional monomers and solvents for the molecular imprinting of paclitaxel separation: a theoretical study by Wang, Lingling, Yang, Fengjian, Zhao, Xiuhua, Li, Yuanzuo

“…The interactions between the template molecule paclitaxel (PTX) and seven functional monomers containing methacrylic acid (MA), acrolein (AC), 4-vinylbenzoic…”
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Improving the antioxidant activity of natural antioxidant honokiol by introducing the amino group by Liu, Xiaohu, Li, Yuanzuo, Yang, Qilei, Cai, Hongda, Wang, Lingling, Zhao, Xiuhua

“…Exploring and synthesizing the compounds with stronger antioxidant activity have always been the goal of researchers. Herein, the substitution effects of the…”
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Fullerene-Based Photoactive Layers for Heterojunction Solar Cells: Structure, Absorption Spectra and Charge Transfer Process by Li, Yuanzuo, Qi, Dawei, Song, Peng, Ma, Fengcai

“…The electronic structure and optical absorption spectra of polymer APFO₃, [70]PCBM/APFO₃ and [60]PCBM/APFO₃, were studied with density functional theory (DFT),…”
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Light Harvesting and Optical-Electronic Properties of Two Quercitin and Rutin Natural Dyes by Zhao, Dongpeng, Lu, Qiuchen, Su, Runzhou, Li, Yuanzuo, Zhao, Meiyu

“…The photovoltaic properties of two dyes (quercitin (Q) and rutin (R)) were experimentally investigated. The results showed that Q had excellent photoelectric…”
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Design, Electron Transfer Process, and Opto-Electronic Property of Solar Cell Using Triphenylamine-Based D-π-A Architectures by Li, Yuanchao, Mi, Lu, Wang, Haibin, Li, Yuanzuo, Liang, Jianping

“…A series of D-π-A type dyes were designed based on the experimentally synthesized A1 by introducing different functional groups on the donor and π-spacer, and…”
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Modification of NFA-Conjugated Bridges with Symmetric Structures for High-Efficiency Non-Fullerene PSCs by Lu, Qiuchen, Qiu, Ming, Zhao, Meiyu, Li, Zhuo, Li, Yuanzuo

“…As electron acceptors, non-fullerene molecules can overcome the shortcomings of fullerenes and their derivatives (such as high cost, poor co-solubility, and…”
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Tunable electron transfer rate in a CdSe/ZnS-based complex with different anthraquinone chloride substitutes by Zhao, Huifang, Sun, Chaofan, Yin, Hang, Li, Yuanzuo, Gao, Jianbo, Shi, Ying, Sun, Mengtao

“…We use femtosecond transient absorption spectroscopy to study ultrafast electron transfer (ET) dynamics in a model donor and acceptor system using CdSe/ZnS…”
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Non-Fullerene Acceptor-Based Solar Cells: From Structural Design to Interface Charge Separation and Charge Transport by Wang, Qungui, Li, Yuanzuo, Song, Peng, Su, Runzhou, Ma, Fengcai, Yang, Yanhui

“…The development of non-fullerene small molecule as electron acceptors is critical for overcoming the shortcomings of fullerene and its derivatives (such as…”
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Novel Triarylamine-Based Hole Transport Materials: Synthesis, Characterization and Computational Investigation by Nhari, Laila M., El-Shishtawy, Reda M., Lu, Qiuchen, Li, Yuanzuo, Asiri, Abdullah M.

“…Three novel triarylamine-based electron-rich chromophores were synthesized and fully characterized. Compounds 1 and 2 were designed with electron-rich…”
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Structure and Photoelectrical Properties of Natural Photoactive Dyes for Solar Cells by Liu, Qian, Gao, Nan, Liu, Dejiang, Liu, Jinglin, Li, Yuanzuo

“…A series of natural photoactive dyes, named as D1–D6 were successfully extracted from six kinds of plant leaves for solar cells. The photoelectrical properties…”
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DFT Characteristics of Charge Transport in DBTP-Based Hole Transport Materials by Qiu, Ming, Pei, Weiwei, Lu, Qiuchen, Li, Zhuo, Li, Yuanzuo, Liang, Jianping

“…To improve the hole-transport ability and photoelectric properties of perovskite solar cells, the ground-state geometry, frontier molecular orbital, and…”
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