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pro vyhledávání: '"Massimiliano Comin"'
Autor:
Massimiliano Comin, Vincent Lemaur, Andrea Giunchi, David Beljonne, Xavier Blase, Gabriele D’Avino
Publikováno v:
Journal of Materials Chemistry C. 10:13815-13825
Electronic structure calculations unveil structure-property relationships in doped polymers: dopants inserted in the alkyl chains are stronger electron acceptors than those in conjugated backbones, leading to integer charge transfer complexes.
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, 2021, 17 (6), pp.3666-3686. ⟨10.1021/acs.jctc.1c00226⟩
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (6), pp.3666-3686. ⟨10.1021/acs.jctc.1c00226⟩
Journal of Chemical Theory and Computation, 2021, 17 (6), pp.3666-3686. ⟨10.1021/acs.jctc.1c00226⟩
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (6), pp.3666-3686. ⟨10.1021/acs.jctc.1c00226⟩
In the aim of completing our previous efforts devoted to local and Rydberg transitions in organic compounds, we provide a series of highly-accurate vertical transition energies for intramolecular charge-transfer transitions occurring in ($\pi$-conjug
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d4f5cc9fff3cc5f0c04f91cce284877
https://hal.science/hal-03160172
https://hal.science/hal-03160172
Autor:
Enrico Da Como, Massimiliano Comin, Joshua W. R. Macdonald, Gabriele D'Avino, Gabriele Kociok-Köhn, Pavlos G. Lagoudakis, Christopher R. Bowen, Giacomo Piana, Elizabeth von Hauff
Publikováno v:
Materials Horizons
Materials Horizons, cRoyal Society of Chemistry, 2020, 7 (11), pp.2951-2958. ⟨10.1039/d0mh01044h⟩
Macdonald, J W R, Piana, G, Comin, M, Von Hauff, E, Kociok-Köhn, G, Bowen, C, Lagoudakis, P, D'Avino, G & Da Como, E 2020, ' Charge transfer excitons in a donor-acceptor amphidynamic crystal : The role of dipole orientational order ', Materials Horizons, vol. 7, no. 11, pp. 2951-2958 . https://doi.org/10.1039/d0mh01044h
Materials Horizons, 7(11), 2951-2958. Royal Society of Chemistry
Materials Horizons, cRoyal Society of Chemistry, 2020, 7 (11), pp.2951-2958. ⟨10.1039/d0mh01044h⟩
Macdonald, J W R, Piana, G, Comin, M, Von Hauff, E, Kociok-Köhn, G, Bowen, C, Lagoudakis, P, D'Avino, G & Da Como, E 2020, ' Charge transfer excitons in a donor-acceptor amphidynamic crystal : The role of dipole orientational order ', Materials Horizons, vol. 7, no. 11, pp. 2951-2958 . https://doi.org/10.1039/d0mh01044h
Materials Horizons, 7(11), 2951-2958. Royal Society of Chemistry
Large amplitude motions in molecular solids are responsible for anomalous electrical characteristics in amphidynamic crystals. We study the effect of orientational dipolar disorder on charge transfer excitons (CTEs) in a donor-acceptor amphidynamic c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::183d367ee0c168902e6e008d607bc1f8
https://hal.archives-ouvertes.fr/hal-03011303/document
https://hal.archives-ouvertes.fr/hal-03011303/document
Publikováno v:
Advanced Materials
Advanced Materials, Wiley-VCH Verlag, 2021, pp.2105376. ⟨10.1002/adma.202105376⟩
Advanced Materials, Wiley-VCH Verlag, 2021, pp.2105376. ⟨10.1002/adma.202105376⟩
The control over material properties attainable through molecular doping is essential to many technological applications of organic semiconductors, such as organic light-emitting diodes or thermoelectrics. These excitonic semiconductors typically rea