Publications by authors named "Quan-Song Li"

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Key roles of conical intersections in the photolysis of phosphine and diphosphine.
Di Mu, Quan-Song Li

J Chem Phys· December 2025

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Boron-containing electron transport materials based on naphthalene diimide for organic solar cells: a theoretical study.
Shu-Pu Yao, Jie Yang, Qian Guo, Xiao-Juan Yang, Quan-Song Li

Nanoscale· June 2025

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Enhanced Performance via End-Group Alteration of Benzodithiophene-Based Donors for Organic Solar Cells: a Theoretical Study.
Kai-Xin Liu, Jie Yang, Quan-Song Li

Chem Asian J· February 2025

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Passivation of Perovskite Solar Cells with Natural Flavors: Roles of Hydrogen Bonding in Ion Migration and Moisture Resistance.
Na Chen, Xiufang Huang, Yueyue Gao, Pengbo Gao, Quan-Song Li

J Phys Chem Lett· December 2024

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Revisiting the Enhanced Chemical Reactivity in Water Microdroplets: The Case of a Diels-Alder Reaction.
Ke Gong, Abhijit Nandy, Zhexuan Song, Quan-Song Li, Ali Hassanali

J Am Chem Soc· November 2024

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Theoretical Understanding on the Facilitated Photoisomerization of a Carbonyl Supported Borane System.
Hong-Yang Zhu, Quan-Song Li

Chemphyschem· December 2023

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Designing Benzodithiophene-Based Small Molecule Donors for Organic Solar Cells by Regulation of Halogenation Effects.
Kai-Xin Liu, Jie Yang, Yang Bai, Quan-Song Li

J Phys Chem A· November 2023

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A moderate intensity ligand works best: a theoretical study on passivation effects of pyridine-based molecules for perovskite solar cells.
Na Chen, Weiyi Zhang, Quan-Song Li

Nanoscale· June 2023

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Cooperative multiple interactions of donor-π-acceptor dyes enhance the efficiency and stability of perovskite solar cells.
Xiufang Hou, Weiyi Zhang, Quan-Song Li

Phys Chem Chem Phys· May 2023

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A theoretical study on the photochemical generation of phenylborylene from phenyldiazidoborane.
Di Mu, Quan-Song Li

Phys Chem Chem Phys· March 2023

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Incorporation of a Boron-Nitrogen Covalent Bond Improves the Charge-Transport and Charge-Transfer Characteristics of Organoboron Small-Molecule Acceptors for Organic Solar Cells.
Jie Yang, Wei-Lu Ding, Quan-Song Li, Ze-Sheng Li

Molecules· January 2023

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Understanding of Photo-Induced Reversible Rearrangement from Borepin to Borirane.
Hong-Yang Zhu, Quan-Song Li

Chemistry· September 2022

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Atomistic Mechanism of Surface-Defect Passivation: Toward Stable and Efficient Perovskite Solar Cells.
Weiyi Zhang, Quan-Song Li, Ze-Sheng Li

J Phys Chem Lett· July 2022

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Theoretical insights into photo-induced isomerization mechanisms of phenylsulfinyl radical PhSO˙.
Meng-Kai Liu, Jian Li, Quan-Song Li, Ze-Sheng Li

Phys Chem Chem Phys· March 2022

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Theoretical Study of Non-Fullerene Acceptors Using End-Capped Groups with Different Electron-Withdrawing Abilities toward Efficient Organic Solar Cells.
Jie Yang, Wei-Lu Ding, Quan-Song Li, Ze-Sheng Li

J Phys Chem Lett· January 2022

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Theoretical design of asymmetric A-DA'D-A type non-fullerene acceptors for organic solar cells.
Jie Yang, Quan-Song Li, Ze-Sheng Li

Phys Chem Chem Phys· June 2021

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Theoretical study on the photochemistry of furoylazides: Curtius rearrangement and subsequent reactions.
Jian Li, Meng-Kai Liu, Quan-Song Li, Ze-Sheng Li

Phys Chem Chem Phys· December 2020

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Theoretical Study on Photoisomerization Mechanisms of Diphenyl-Substituted N,C-Chelate Organoboron Compounds.
Xin-Yi Du, Quan-Song Li

Chemistry· October 2020

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End-capped group manipulation of indacenodithienothiophene-based non-fullerene small molecule acceptors for efficient organic solar cells.
Jie Yang, Quan-Song Li, Ze-Sheng Li

Nanoscale· September 2020

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Molecular Engineering of Hexaazatriphenylene Derivatives toward More Efficient Electron-Transporting Materials for Inverted Perovskite Solar Cells.
Rui Zhu, Quan-Song Li, Ze-Sheng Li

ACS Appl Mater Interfaces· August 2020

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Insights into the Photoinduced Isomerization Mechanisms of a N,C-Chelate Organoboron Compound: A Theoretical Study.
Hong-Yang Zhu, Quan-Song Li

Chemphyschem· March 2020

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A Two-Dimensional Spin-Crossover Coordination Polymer Exhibiting Interlayer Multiple C-H···H-B Dihydrogen Bonds.
Jin-Peng Xue, Wen-Jie Wu, Quan-Song Li, Zi-Shuo Yao, Jun Tao

Inorg Chem· December 2019

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Theoretical study on the regioselective photoisomerization of asymmetric N,C-chelate organoboron compounds.
Fang-Ping Li, Hong-Yang Zhu, Quan-Song Li, Ze-Sheng Li

Phys Chem Chem Phys· April 2019

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Nitrogen substitution improves the mobility and stability of electron transport materials for inverted perovskite solar cells.
Rui Zhu, Quan-Song Li, Ze-Sheng Li

Nanoscale· September 2018

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Effect of π-bridge units on properties of A-π-D-π-A-type nonfullerene acceptors for organic solar cells.
Yan-Ling Wang, Quan-Song Li, Ze-Sheng Li

Phys Chem Chem Phys· May 2018

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