Junfeng Li
Henan University
13 Papers
38 Citations
Junfeng Li is an academic researcher from Henan University. The author has contributed to research in topics: Density functional theory & Quantum yield. The author has an hindex of 8, co-authored 13 publications. Previous affiliations of Junfeng Li include Royal Institute of Technology.
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Papers
Comprehension of the Effect of a Hydroxyl Group in Ancillary Ligand on Phosphorescent Property for Heteroleptic Ir(III) Complexes: A Computational Study Using Quantitative Prediction.
TL;DR: Complex 2 has larger quantum yield and more stability as compared with 1 and 3, and the formation of intramolecular hydrogen bond would become a new method to design new phosphor with the desired properties.
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Insight into the role of weak interaction played in the fixation of CO2 catalyzed by the amino-functionalized imidazolium-based ionic liquids
TL;DR: In this paper, the cooperative effect of two same or different components is considered in the coupling reaction of CO 2 with propylene oxide (PO) catalyzed by the amino-functionalized imidazolium-based ionic liquid.
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Insight into the Phosphorescent Process of Cyclometalated Ir(III) Complexes: Combination of the Substituents on Primary and Ancillary Ligands Controls the Emission Rule and Quantum Yield
TL;DR: In this paper, the authors investigated the FD and TDDFT method to explore the cooperative effect of the electron-withdrawing substituent on the primary ligand associated with different ancillary ligands.
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Star-Shaped Molecules as Dopant-Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation.
Yue Zhang,Panpan Heng,Huishuang Su,Junfeng Li,Jia Guo,Pan Ning,Wenpeng Wu,Tiegang Ren,Li Wang,Jinglai Zhang +9 more
TL;DR: The performance of a designed molecule is evaluated from both the isolated molecules and HTM@CH3 NH3 PbI3 adsorbed system including aforementioned items, which is favorable to build reliable structure-property relationship.
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Constructive effects of the interfacial properties: A strategy to design hole transport materials for high performance perovskite solar cells
TL;DR: In this paper, the properties of three organic hole transport materials (HTMs), FDT, PEH-2, and SNE (See Scheme 1) are investigated by combination of molecular dynamics and first principle calculations.
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