研究领域

光化学、光催化及光功能材料的计算模拟

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. Angew. Chem. Int. Ed. 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 mechanism. Physical 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 solution. Physical 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)