Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase : Complex experimental and theoretical study. / Kovaleva, Evgenia A.; Kuzubov, Alexander A.; Vikulova, Evgeniia S. и др.
в: Journal of Molecular Structure, Том 1146, 15.10.2017, стр. 677-683.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase
T2 - Complex experimental and theoretical study
AU - Kovaleva, Evgenia A.
AU - Kuzubov, Alexander A.
AU - Vikulova, Evgeniia S.
AU - Basova, Tamara V.
AU - Morozova, Natalya B.
PY - 2017/10/15
Y1 - 2017/10/15
N2 - The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural parameters and vibrational spectra of Ir(acac)(CO)2 molecule were found to be in a fairly good agreement with the experimental data. Ir(acac)(CO)2 was found to unlikely decompose in the gaseous phase while its adsorption onto the iron surface leads to major structural distortions easing the bond cleavage, molecule decomposition with subsequent formation of iridium films.
AB - The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural parameters and vibrational spectra of Ir(acac)(CO)2 molecule were found to be in a fairly good agreement with the experimental data. Ir(acac)(CO)2 was found to unlikely decompose in the gaseous phase while its adsorption onto the iron surface leads to major structural distortions easing the bond cleavage, molecule decomposition with subsequent formation of iridium films.
KW - Ir(acac)(CO)
KW - Iridium films
KW - Mass spectrometry
KW - MOCVD
KW - Quantum chemical modeling
KW - Thermal decomposition
KW - Ir(acac)(CO)(2)
KW - THIN-FILMS
KW - CHEMICAL-VAPOR-DEPOSITION
KW - IRIDIUM
KW - CRYSTAL-STRUCTURE
KW - ATOMIC-LAYER DEPOSITION
KW - ELECTRODES
KW - ELASTIC BAND METHOD
KW - PLATINUM-GROUP METALS
KW - MINIMUM ENERGY PATHS
KW - SADDLE-POINTS
UR - http://www.scopus.com/inward/record.url?scp=85020914859&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2017.06.059
DO - 10.1016/j.molstruc.2017.06.059
M3 - Article
AN - SCOPUS:85020914859
VL - 1146
SP - 677
EP - 683
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -
ID: 9960139