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Pregled bibliografske jedinice broj: 985990

CO Stretch Vibration Lives Long on Au(111)


Lončarić, Ivor; Alducin, M.; Juaristi, J. I.; Novko, Dino
CO Stretch Vibration Lives Long on Au(111) // Journal of physical chemistry letters, 10 (2019), 5; 1043-1047 doi:10.1021/acs.jpclett.9b00069 (međunarodna recenzija, članak, znanstveni)


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Naslov
CO Stretch Vibration Lives Long on Au(111)

Autori
Lončarić, Ivor ; Alducin, M. ; Juaristi, J. I. ; Novko, Dino

Izvornik
Journal of physical chemistry letters (1948-7185) 10 (2019), 5; 1043-1047

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
density functional perturbation theory ; van der Waals functionals

Sažetak
Measured lifetimes of the CO internal stretch mode on various metal surfaces routinely lie in the picosecond regime. These short vibrational lifetimes, which are actually reproduced by current first-principles nonadiabatic calculations, are attributed to the rapid vibrational energy loss that is caused by the facile excitation of electron–hole pairs in metals. However, this explanation was recently questioned by the huge discrepancy that exists for CO on Au(111) between the experimental vibrational lifetime that is larger than 100 ps and the previous theoretical predictions of 4.8 and 1.6 ps. Here, we show that the state-of- the- art nonadiabatic theory does reproduce the long CO lifetime measured in Au(111) provided the molecule–surface interaction is properly described. Importantly, our new results confirm that the current understanding of the adsorbates’ vibrational relaxation at metal surfaces is indeed valid.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA


Projekti:
EK-H2020-692194 - Ruđer Bošković Institute: Twinning for a step forward of the Theoretical Physics Division (RBI-T-WINNING) (NESTI, Fabrizio, EK - H2020-TWINN-2015) ( POIROT)
EK-EFRR-KK.01.1.1.06.0006 - Sinergijom do uspjeha: RBI-T-WINNING i ESIF udruženi u jačanju izvrsnosti Zavoda za teorijsku fiziku Instituta Ruđer Bošković (RBI-TWINN-SIN) (Melic, Blazenka, EK - KK.01.1.1.06) ( POIROT)

Ustanove:
Institut za fiziku, Zagreb,
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Dino Novko (autor)

Avatar Url Ivor Lončarić (autor)

Poveznice na cjeloviti tekst rada:

doi pubs.acs.org fulir.irb.hr

Citiraj ovu publikaciju:

Lončarić, Ivor; Alducin, M.; Juaristi, J. I.; Novko, Dino
CO Stretch Vibration Lives Long on Au(111) // Journal of physical chemistry letters, 10 (2019), 5; 1043-1047 doi:10.1021/acs.jpclett.9b00069 (međunarodna recenzija, članak, znanstveni)
Lončarić, I., Alducin, M., Juaristi, J. & Novko, D. (2019) CO Stretch Vibration Lives Long on Au(111). Journal of physical chemistry letters, 10 (5), 1043-1047 doi:10.1021/acs.jpclett.9b00069.
@article{article, author = {Lon\v{c}ari\'{c}, Ivor and Alducin, M. and Juaristi, J. I. and Novko, Dino}, year = {2019}, pages = {1043-1047}, DOI = {10.1021/acs.jpclett.9b00069}, keywords = {density functional perturbation theory, van der Waals functionals}, journal = {Journal of physical chemistry letters}, doi = {10.1021/acs.jpclett.9b00069}, volume = {10}, number = {5}, issn = {1948-7185}, title = {CO Stretch Vibration Lives Long on Au(111)}, keyword = {density functional perturbation theory, van der Waals functionals} }
@article{article, author = {Lon\v{c}ari\'{c}, Ivor and Alducin, M. and Juaristi, J. I. and Novko, Dino}, year = {2019}, pages = {1043-1047}, DOI = {10.1021/acs.jpclett.9b00069}, keywords = {density functional perturbation theory, van der Waals functionals}, journal = {Journal of physical chemistry letters}, doi = {10.1021/acs.jpclett.9b00069}, volume = {10}, number = {5}, issn = {1948-7185}, title = {CO Stretch Vibration Lives Long on Au(111)}, keyword = {density functional perturbation theory, van der Waals functionals} }

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
  • MEDLINE
  • Nature Index


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