Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Electronically Excited States in Model Complexes of Noble Metal Clusters with Carbon Nanodots. / Pomogaev, V. A.; Lee, H. J.; Goh, E.; Tchaikovskaya, O. N.; Kononov, A. I.; Avramov, P. V.
в: Russian Physics Journal, Том 64, № 11, 01.03.2022, стр. 2076-2081.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Electronically Excited States in Model Complexes of Noble Metal Clusters with Carbon Nanodots
AU - Pomogaev, V. A.
AU - Lee, H. J.
AU - Goh, E.
AU - Tchaikovskaya, O. N.
AU - Kononov, A. I.
AU - Avramov, P. V.
PY - 2022/3/1
Y1 - 2022/3/1
N2 - Theoretical calculations of excited states in the complexes of gold and silver three-atom nanoclusters with carbon quantum nanodots are performed using the M062X functional and the def2SVP {H}/def2TZVP/def2TZVPP{Ag, Au} hybrid basis set. A subsequent calculation of the excited states is performed in an approximation of the time-dependent density functional theory implemented in Gaussian09. The chromophore centers of the nanodots are modeled by heterocyclic molecules of isoquino-diazaanthracene and benzopyrano-diazanaphthalene. The clusters are attached to the nanodots using ethyl mercaptan and methoxyethane bridges of various lengths. The energy transfer channels are considered depending on the mutual arrangement of energy levels of clusters and heterocycles.
AB - Theoretical calculations of excited states in the complexes of gold and silver three-atom nanoclusters with carbon quantum nanodots are performed using the M062X functional and the def2SVP {H}/def2TZVP/def2TZVPP{Ag, Au} hybrid basis set. A subsequent calculation of the excited states is performed in an approximation of the time-dependent density functional theory implemented in Gaussian09. The chromophore centers of the nanodots are modeled by heterocyclic molecules of isoquino-diazaanthracene and benzopyrano-diazanaphthalene. The clusters are attached to the nanodots using ethyl mercaptan and methoxyethane bridges of various lengths. The energy transfer channels are considered depending on the mutual arrangement of energy levels of clusters and heterocycles.
KW - carbon nanodots
KW - excitation energy transfer
KW - metal clusters
KW - photophysical processes
UR - http://www.scopus.com/inward/record.url?scp=85127147723&partnerID=8YFLogxK
U2 - 10.1007/s11182-022-02558-9
DO - 10.1007/s11182-022-02558-9
M3 - Article
AN - SCOPUS:85127147723
VL - 64
SP - 2076
EP - 2081
JO - Russian Physics Journal
JF - Russian Physics Journal
SN - 1064-8887
IS - 11
ER -
ID: 121234712