081701-化学工程
081704-应用化学

离子液体生成式结构设计，基于深度势研究木质素裂解，图神经网络实现离子液体基热电材料性能预测

2014-09--2018-06   北京理工大学   博士研究生

   

2018-07~现在, 中国科学院过程工程研究所, 副研究员
2014-09~2018-06,北京理工大学, 博士研究生

   

（1） Electron density learning of z���bonds in ionic liquids and its application, J. Phys. Chem. Lett. 2023, 14, 9103−9111, 2023, 第 1 作者
（2） Structural Engineering of FDT toward Promising Spiro-Typed Hole- Transporting Materials: Promoting the Hole Transport and Stabilizing the HOMO Levels, J. Phys. Chem. C 2022, 126, 11529−11536, 2022, 第 3 作者  通讯作者
（3） Ultrathin Covalent Organic Framework Anchored on Graphene for Enhanced Organic Pollutant Removal, Angew. Chem. Int. Ed. 2022, e202206564, 2022, 第 4 作者
（4） Machine learning screening of efficient ionic liquids for targeted cleavage of the ��-O-4 bond of lignin, J. Phys. Chem. B, 2022, 126: 3693-3704, 2022, 第 1 作者
（5） Ionic liquid decoration for the hole transport improvement of PEDOT, Mater. Adv., 2021, 2: 2009-2020, 2021, 第 1 作者
（6） Accelerating evaluation of the mobility of ionic liquid-modulated PEDOT flexible electronics using machine learning, J. Mate. Chem. A, 2021, 9: 25547-25557, 2021, 第 1 作者
（7） Boosting the hole transport of conductive polymers by regulating the ion ratio in ionic liquid additives, Phys. Chem. Chem. Phys., 2020, 22: 9796-9807, 2020, 第 1 作者
（8） Understanding the effects of the co-sensitizing ratio on the surface potential, electron injection efficiency, and Fo��rster resonance energy transfer, Phys.Chem.Chem.Phys., 2020, 22, 5568, 2020, 第 5 作者  通讯作者
（9） Novel bifunctional aromatic linker utilized in CdSe quantum dots-sensitized solar cells: boosting the open-circuit voltage and electron injection, J. Mater. Chem. A, 2017, 5: 14319-14330, 2017, 第 1 作者
（10） The electron injection rate in CdSe quantum dot sensitized solar cells: from a bifunctional linker and zinc oxide morphology, Nanoscale, 2017, 9: 16806-16816, 2017, 第 1 作者
（11） Influence of oligothiophene-functionalized co-sensitizer on the electron injection efficiency for multiple dye-TiO2 interface, Organic Electronics. 2016, 38, 384-395, 2016, 第 1 作者
（12） Anti-aggregation and intra-type F��rster resonance energy transfer in bulky indoline sensitizers for dye-sensitized solar cells: a combined DFT/TDDFT and molecular dynamics study, J. Mater. Chem. A, 2015, 3: 19948-19959, 2015, 第 1 作者
（13） Molecular Engineering of Indoline-Based D-A-��-A Organic Sensitizers toward High Efficiency Performance from First-Principles Calculations, J. Phys. Chem. C, 2013, 117, 17382−17398, 2013, 第 1 作者
（14） Density functional theory characterization and verification of high-performance indoline dyes with D-A-��-A architecture for dye-sensitized solar cells, Dyes Pigments, 2013, 98, 125-135, 2013, 第 1 作者

   

（ 1 ） 基于深度势的离子液体裂解木质素C-O/C-C键的机制研究, 负责人, 国家任务, 2024-01--2027-12
（ 2 ） 木质素高值化解聚关键科学问题, 负责人, 国家任务, 2024-01--2028-12
（ 3 ） 离子液体-聚合物膜分离CO2的多尺度模拟与优化设计, 参与, 国家任务, 2021-01--2024-12