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Exact exchange and the density functional theory of metal-to-ligand charge-transfer in fac-Ir(ppy)3 |
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| Affiliation: | 1. Department of Electrical Engineering, University of Isfahan, Isfahan, Iran;2. Department of Electrical and Avionics Engineering, Malek-Ashtar University of Technology, Isfahan, Iran;1. Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, Harbin Normal University, Harbin 150025, China;2. Key Laboratory of Photochemical Biomaterialsand Energy Storage Material, Heilongjiang Province, Harbin Normal University Harbin, 150025, China |
| Abstract: | |
| Keywords: | Time-dependent density functional theory Exact exchange Triplet excitations Organic light-emitting diode (OLED) |
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