prikaz prve stranice dokumenta Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates
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Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates
Physical review B: Condensed matter and materials physics, 88 (2013), 23; 235437. https://doi.org/10.1103/PhysRevB.88.235437
Despoja, Vito; Lončarić, Ivor; Mowbray, D. J.; Marušić, Leonardo

Institucijski repozitorij: Repozitorij Prirodoslovno-matematičkog fakulteta

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Despoja, V., Lončarić, I., Mowbray, D. J. i Marušić, L. (2013). Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates. Physical review B: Condensed matter and materials physics, 88. (23). doi: 10.1103/PhysRevB.88.235437

Despoja, Vito, et al. "Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates." Physical review B: Condensed matter and materials physics, vol. 88, br. 23, 2013. https://doi.org/10.1103/PhysRevB.88.235437

Despoja, Vito, Ivor Lončarić, D. J. Mowbray i Leonardo Marušić. "Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates." Physical review B: Condensed matter and materials physics 88, br. 23 (2013). https://doi.org/10.1103/PhysRevB.88.235437

Despoja, V., et al. (2013) 'Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates', Physical review B: Condensed matter and materials physics, 88(23). doi: 10.1103/PhysRevB.88.235437

Despoja V, Lončarić I, Mowbray DJ, Marušić L. Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates. Physical review B: Condensed matter and materials physics [Internet]. 2013. [pristupljeno 24.12.2024.];88(23). doi: 10.1103/PhysRevB.88.235437

V. Despoja, I. Lončarić, D. J. Mowbray i L. Marušić, "Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates", Physical review B: Condensed matter and materials physics, vol. 88, br. 23, 2013. [Online]. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:217:921963. [Citirano: 24.12.2024.]

Za citiranje koristite ovu mrežnu adresu: https://urn.nsk.hr/urn:nbn:hr:217:921963
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Naslov (engleski)Quasiparticle spectra and excitons of organic molecules deposited on substrates: G0W0-BSE approach applied to benzene on graphene and metallic substrates
AutorVito Despoja
AutorIvor Lončarić
AutorD. J. Mowbray
AutorLeonardo Marušić
Autorova ustanovaSveučilište u Zagrebu
Prirodoslovno-matematički fakultet
(Fizički odsjek)
Znanstveno / umjetničko
područje, polje i grana		PRIRODNE ZNANOSTI
Fizika
Sažetak (engleski)
We present an alternative methodology for calculating the quasiparticle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To test the accuracy of the method it is first applied to the isolated benzene (C_6H_6) molecule. The quasiparticle energy levels and especially the energies of the benzene excitons (triplet, singlet, optically active and inactive) are in very good agreement with available experimental results. It is shown that the vicinity of the various substrates [pristine/doped graphene or (jellium) metal surface] reduces the quasiparticle highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount that slightly depends on the substrate type. This is consistent with the simple image theory predictions. It is even shown that the substrate does not change the energy of the excitons in the isolated molecule. We prove (in terms of simple image theory) that energies of the excitons are indeed influenced by two mechanisms which cancel each other. We demonstrate that the benzene singlet optically active (E1u) exciton couples to real electronic excitations in the substrate. This causes it substantial decay, such as Γ≈174 meV for pristine graphene and Γ≈362 meV for metal surfaces as the substrate. However, we find that doping graphene does not influence the E_1u exciton decay rate.
Ključne riječi (engleski)
Jezikengleski
Vrsta publikacijeZnanstveni rad - Izvorni znanstveni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeObjavljena verzija rada (izdavačev PDF)
Naslov časopisaPhysical review B: Condensed matter and materials physics
Brojčani podacivol. 88, br. 23, 235437
p-ISSN1098-0121
e-ISSN1550-235X
DOIhttps://doi.org/10.1103/PhysRevB.88.235437
URN:NBNurn:nbn:hr:217:921963
Datum objave publikacije2013
URL dokumentahttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.88.235437
Vrsta resursaTekst
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Zaštićeno autorskim pravom.
Javna napomenaCopyright (2013) by the American Physical Society. Received 5 September 2013; revised manuscript received 4 November 2013; published 31 December 2013.
Datum i vrijeme pohrane2019-11-27 16:15:40