Research output: Contribution to journal › Article › peer-review
Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon. / Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Panina, Yu A.; Baramygin, A. V.; Zashikhin, G. D.; Pshenichnyuk, S. A.
In: Physics of the Solid State, Vol. 60, No. 4, 01.04.2018, p. 804-808.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon
AU - Komolov, A. S.
AU - Lazneva, E. F.
AU - Gerasimova, N. B.
AU - Panina, Yu A.
AU - Baramygin, A. V.
AU - Zashikhin, G. D.
AU - Pshenichnyuk, S. A.
PY - 2018/4/1
Y1 - 2018/4/1
N2 - The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1–2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.
AB - The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1–2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.
UR - http://www.scopus.com/inward/record.url?scp=85045729716&partnerID=8YFLogxK
U2 - 10.1134/S1063783418040169
DO - 10.1134/S1063783418040169
M3 - Article
AN - SCOPUS:85045729716
VL - 60
SP - 804
EP - 808
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 4
ER -
ID: 26662614