Research output: Contribution to journal › Article › peer-review
Density of Vacant Electronic States of Semiconductor Films of Molecules of Naphthalene and Diphenylphthalide Modified by Electroactive Functional Groups. / Komolov, A. S.; Lazneva, E. F.; Gerasimova, N. B.; Baramygin, A. V.; Sobolev, V. S.; Pshenichnyuk, S. A.; Asfandiarov, N. L.; Kraikin, V. A.; Handke, B.
In: Physics of the Solid State, Vol. 62, No. 7, 01.07.2020, p. 1256-1261.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Density of Vacant Electronic States of Semiconductor Films of Molecules of Naphthalene and Diphenylphthalide Modified by Electroactive Functional Groups
AU - Komolov, A. S.
AU - Lazneva, E. F.
AU - Gerasimova, N. B.
AU - Baramygin, A. V.
AU - Sobolev, V. S.
AU - Pshenichnyuk, S. A.
AU - Asfandiarov, N. L.
AU - Kraikin, V. A.
AU - Handke, B.
PY - 2020/7/1
Y1 - 2020/7/1
N2 - Abstract: A comparative study has been performed for the structures of the maxima of the density of unoccupied electronic states (DOUS) in ultrathin films of the naphthalene-1,4,5,8-tetracarboxyl acid dianhydride (NTCDA) and naphthalene-1,8-dicarboxyl acid anhydride (NDCA) and two types of films based on phthalides: 3,3-diphenylphthalide (DPP) and 3,3-diphenylphthalide-4',4'-dicarboxyl acid (DPP–DCA). The structures of unoccupied electronic states of the 8–10-nm-thick films have been measured by total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The experimental results are analyzed by constructing the model total current spectra and the DOUS dependences using the results of calculation of the orbital energy of the molecules under study by the density functional theory (DFT) at the B3LYP/6-31G(d) level. The difference in the DOUS spectra of the NTCDA and NDCA films is the shift of the main DOUS maxima of the NTCDA film to lower energies approximately by 1 eV at energies lower than 12.5 eV; at higher energies, the DOUS maxima are shifted by 1.5–2 eV. The energy positions of the maxima of the total current spectra of the DPP–DCA and DPP films are changed only slightly as various substrates are used: highly ordered pyrolitic graphite (HOPG) and a CdS deposited layer-by-layer. The relative intensities of the maxima are different as various substrates are used. The characteristic shifts of the maxima of the total current spectra of the DPP–DCA films are approximately 1 eV at energies lower 12.5 eV above the Fermi level and 1.5–2 eV at higher energies, as compared to the positions of the corresponding maxima of the DPP films.
AB - Abstract: A comparative study has been performed for the structures of the maxima of the density of unoccupied electronic states (DOUS) in ultrathin films of the naphthalene-1,4,5,8-tetracarboxyl acid dianhydride (NTCDA) and naphthalene-1,8-dicarboxyl acid anhydride (NDCA) and two types of films based on phthalides: 3,3-diphenylphthalide (DPP) and 3,3-diphenylphthalide-4',4'-dicarboxyl acid (DPP–DCA). The structures of unoccupied electronic states of the 8–10-nm-thick films have been measured by total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The experimental results are analyzed by constructing the model total current spectra and the DOUS dependences using the results of calculation of the orbital energy of the molecules under study by the density functional theory (DFT) at the B3LYP/6-31G(d) level. The difference in the DOUS spectra of the NTCDA and NDCA films is the shift of the main DOUS maxima of the NTCDA film to lower energies approximately by 1 eV at energies lower than 12.5 eV; at higher energies, the DOUS maxima are shifted by 1.5–2 eV. The energy positions of the maxima of the total current spectra of the DPP–DCA and DPP films are changed only slightly as various substrates are used: highly ordered pyrolitic graphite (HOPG) and a CdS deposited layer-by-layer. The relative intensities of the maxima are different as various substrates are used. The characteristic shifts of the maxima of the total current spectra of the DPP–DCA films are approximately 1 eV at energies lower 12.5 eV above the Fermi level and 1.5–2 eV at higher energies, as compared to the positions of the corresponding maxima of the DPP films.
KW - conjugated organic molecules
KW - density of electronic states
KW - electronic properties
KW - low-energy electron spectroscopy
KW - ultrathin films
KW - THIN-FILMS
KW - ULTRATHIN FILMS
KW - OXIDE
KW - PERYLENE
KW - CONDUCTION-BAND
KW - SURFACE
KW - PHOTOPHYSICS
KW - ENERGY-LEVEL ALIGNMENT
KW - ABSORPTION
KW - SPECTRA
UR - http://www.scopus.com/inward/record.url?scp=85087305407&partnerID=8YFLogxK
U2 - 10.1134/S1063783420070100
DO - 10.1134/S1063783420070100
M3 - Article
AN - SCOPUS:85087305407
VL - 62
SP - 1256
EP - 1261
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 7
ER -
ID: 60747820