3 papers
physics.chem-ph2025
Theoretical study on charge transfer properties of triphenylamino-ethynyl Polycyclic Aromatic Hydrocarbon derivatives
Zhipeng Tong, Xiaoqi Sun, Guiya Qin +4
This study systematically investigates the regulation mechanisms of backbone topology (tri-/tetracyclic arenes), substitution positions, and functional groups on charge transport p…
physics.chem-ph2025
Theoretical Study of Charge Transport Properties of Curved PAH Organic Semiconductors
Hengyu Jin, Xiaoqi Sun, Guiya Qin +5
Curved polycyclic aromatic hydrocarbons (PAHs) exhibit distinctive geometric and electronic structures, rendering them highly promising in addressing issues of solubility and air s…
cond-mat.mtrl-sci2025
Theoretical Study on MR-TADF Materials Based on CzBN
Jinpu Bai, Jingfu Guo, Aynur Matyusup +2
Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials have garnered significant research interest owing to their remarkably narrow emission spectra with full…