Pregled bibliografske jedinice broj: 1043131
Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal
Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal // Physical Review B, 88 (2013), 3; 035450, 8 doi:10.1103/physrevb.88.035450 (međunarodna recenzija, članak, znanstveni)
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Naslov
Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal
Autori
Grisanti, Luca ; Olivier, Yoann ; Wang, Linjun ; Athanasopoulos, Stavros ; Cornil, Jérôme ; Beljonne, David
Izvornik
Physical Review B (1098-0121) 88
(2013), 3;
035450, 8
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
triplets ; anthracene ; exciton diffusion
Sažetak
Triplet exciton migration in the anthracene single crystal is modeled using a kinetic Monte Carlo scheme based on fully atomistic hopping rates. These account for the coupling of the triplet excitations to both intramolecular vibrations and lattice phonons from first principles. Thermal fluctuations in site energies and excitonic couplings obtained within the fragmented excitation difference approach yield triplet exciton diffusion constants in quantitative agreement with experiment.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
