Bo Li

11PUBLICATIONS
11CO-AUTHORS
Theoretical quantum chemistryFunctional materialsPolymerisation mechanismsChemical thermodynamics and energeticsElemental semiconductors
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Publications (11)

|May 09, 2025
Prediction of C2N-Supported Double-Atom Catalysts with Individual/Integrated Descriptors for Electrochemical and Thermochemical CO2 Reduction.

Chuanyi Jia, Bo Li, Jing Yang

|Feb 19, 2025
Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors.

Bo Li, Shichen Lin, Feng Long Gu

|Apr 02, 2024
Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units.

Bo Li, Shichen Lin, Feng Long Gu

|Jan 18, 2024
Energy-Scaled Debye-Hückel Theory for the Electrostatic Solvation Free Energy in Size-Asymmetric Electrolyte Solutions.

Tiejun Xiao, Yun Zhou, Bo Li

|Oct 23, 2023
Design of Efficient Oxygen Reduction Reaction Catalysts with Single Transition Metal Atom on N-Doped Graphdiyne.

Min Zou, Jing Yang, Xiaolong Yue

|Aug 22, 2023
Torsion Angles between Donor and Acceptor Moieties as a Descriptor for Designing Nonlinear Optics and Thermally Activated Delayed Fluorescence Materials.

Bo Li, Tiejun Xiao, Feng Long Gu

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Frequent Collaborators

6 joint publications

Feng Long Gu

3 joint publications

Jun Jiang

3 joint publications

Chuanyi Jia

2 joint publications

Chaoyuan Zhu