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彭灵雅
  • 职  称:讲师
  • 毕业学校:北京师范大学
  • 电  话:
  • 电子邮箱:lingya.peng@snnu.edu.cn
  • 研究方向:光化学、光催化及光功能材料的计算模拟

个人简介


2013年-2018年:中国石油大学(北京),获工学学士学位;2018年-2023年:北京师范大学,获理学博士学位(导师:崔刚龙教授)。主要研究方向为有机金属配合物的光物理过程和光催化反应机理的理论研究,采用高精度的电子结构计算结合速率常数计算策略,明确了材料的发光机制,揭示了光催化体系选择性来源,为设计新型发光材料或光催化材料提供了理论参考。



代表性成果


(1) Ling-Ya Peng, Guang-Ning Pan, Wen-Kai Chen, Xiang-Yang Liu,* Wei-Hai Fang, Ganglong Cui.* Photocatalytic reduction of  CO2 to HCOOH and CO by a phosphine-bipyridine-phosphine Ir(III) catalyst: Photophysics, nonadiabatic effects, mechanism, and selectivity. Angewandte Chemie-International Edition, 2023, e202315300.

(2) Ling-Ya Peng, Zi-Wen Li†, Guang-Ning Pan, Wen-Kai Chen, Yuan-Jun Gao*, Ganglong Cui*. Thermally activated delayed fluorescence of a Ir(III) complex: absorption and emission properties, nonradiative rates, and mechanismPhysical Chemistry Chemical Physics, 2023, 25, 6464-6460. († contributed equally to this work)

(3) Ling-Ya Peng, Zi-Wen Li, Qiu Fang, Bin-Bin Xie*, Shu-Hua Xia*, Ganglong Cui. Combined QM (MS-CASPT2)/MM studies on photocyclization and photoisomerization of a fulgide derivative in toluene solutionPhysical Chemistry Chemical Physics, 2022, 24, 29918-29926.

(4) Ling-Ya Peng, Wen-Kai Chen, Zi-Wen Li, Yuan-Jun Gao*, Ganglong Cui*.  QM/MM studies on thermally activated delayed fluorescence of a dicopper complex in the solid state. Journal of Physical Chemistry C, 2021, 125, 27372-27380.

(5) Ke Zhang†, Ling-Ya Peng, Xin-Xin Liu, Xin Xu, Wei-Hai Fang, Ganglong Cui*, Yu-Zhe Chen*, Chen-Ho Tung, Li-Zhu Wu*. Aromatic amides: A smart backbone toward isolated ultralong bright blue-phosphorescence in confined polymeric films. Angewandte Chemie-International Edition, 2023, 62, e2023009. († contributed equally to this work)

(6) Wenshuang Huang†, Ling-Ya Peng†, Jiayu Zhang, Chenrui Liu, Guoyong Song, Wei-Hai Fang, Ganglong Cui*, Shaowei Hu*. Vanadium-catalyzed dinitrogen reduction to ammonia via a [V]=NNH2 intermediate. Journal of the American Chemical Society, 2023, 145, 811-821. († contributed equally to this work)

(7) Dong-Sheng Zhang†, Ling-Ya Peng†, Kun-Xu Teng, Li-Ya Niu*, Ganglong Cui*, Qing-Zheng Yang*. Self-assembly regulated singlet oxygen generation of heavy-atom-free organic chromophores. ACS Materials Letters, 2023, 5, 180-188. († contributed equally to this work)

(8) Jian-Xin Wang†*, Ling-Ya Peng†, Zheng-Fei Liu, Li-Ya Niu, Ganglong Cui, Qing-Zheng Yang. Tunable fluorescence and afterglow in organic crystals for temperature sensing. Journal of Physical Chemistry Letters, 2022, 13, 1985-1990. († contributed equally to this work)


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