DFT/TDDFT investigation on the photophysical properties of a series of phosphorescent cyclometalated complexes based on the benchmark complex FIrpic
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DOI: 10.1080/00268976.2017.1416200
Abstract: ABSTRACT The photophysical properties of four Ir(III) complexes have been investigated by means of the density functional theory/time-dependent density functional theory (DFT/TDDFT). The effect of the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption… read more here.
Keywords: dft tddft; investigation photophysical; phosphorescent; tddft investigation ... See more keywords