Theoretical study on photophysical properties of multifunctional star-shaped molecules with 1,8-naphthalimide core for organic light-emitting diode and organic solar cell application
作者： Ruifa Jin , Irfan Ahmad
DOI: 10.1007/S00214-015-1693-8
关键词:
摘要: A series of D–π–A star-shaped small molecules with 1,8-naphthalimide fragments as core and different electron-rich aromatic heterocycles end groups have been designed to explore their optical, electronic, charge transport properties organic light-emitting diode (OLED) solar cell (OSC) materials. The frontier molecular orbitals analysis has turned out that the can lower material band gap extend absorption spectrum toward longer wavelengths. calculated results showed optical electronic are affected by π-bridges. Our reveal under investigation serve OSC donor materials well luminescent for OLEDs. In addition, they expected be promising candidates hole and/or electron We also predicted mobility molecule better performance in two space groups. On basis investigated results, we proposed a rational way design OLEDs, OSCs simultaneously.
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