skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electronic Structure of the Organic Semiconductor Vanadyl Phthalocyanine (VO-Pc)

Abstract

The electronic structure of thin films of the organic semiconductor vanadyl phthalocyanine has been studied using synchrotron radiation-excited resonant soft X-ray emission spectroscopy, resonant inelastic soft X-ray scattering, X-ray absorption spectroscopy, and X-ray photoemission spectroscopy. The C, N, V, and O partial densities of states for both the valence and conduction bands have been determined, as well as the core level electronic structure. Good agreement was found between the experimental measurements of the valence and conduction bands, and the results of a density functional calculation.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
960053
Report Number(s):
BNL-83039-2009-JA
Journal ID: ISSN 0959-9428; JMACEP; TRN: US201016%%1197
DOE Contract Number:
DE-AC02-98CH10886
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Materials Chemistry; Journal Volume: 17
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; FUNCTIONALS; ORGANIC SEMICONDUCTORS; PHOTOEMISSION; PHTHALOCYANINES; SCATTERING; SPECTROSCOPY; SYNCHROTRONS; THIN FILMS; VALENCE; national synchrotron light source

Citation Formats

Zhang,Y., Learmonth, T., Wang, S., Matsura, A., Downes, J., Plucinski, L., Bernardis, S., O'Donnell, C., and Smith, K. Electronic Structure of the Organic Semiconductor Vanadyl Phthalocyanine (VO-Pc). United States: N. p., 2007. Web. doi:10.1039/b613274j.
Zhang,Y., Learmonth, T., Wang, S., Matsura, A., Downes, J., Plucinski, L., Bernardis, S., O'Donnell, C., & Smith, K. Electronic Structure of the Organic Semiconductor Vanadyl Phthalocyanine (VO-Pc). United States. doi:10.1039/b613274j.
Zhang,Y., Learmonth, T., Wang, S., Matsura, A., Downes, J., Plucinski, L., Bernardis, S., O'Donnell, C., and Smith, K. Mon . "Electronic Structure of the Organic Semiconductor Vanadyl Phthalocyanine (VO-Pc)". United States. doi:10.1039/b613274j.
@article{osti_960053,
title = {Electronic Structure of the Organic Semiconductor Vanadyl Phthalocyanine (VO-Pc)},
author = {Zhang,Y. and Learmonth, T. and Wang, S. and Matsura, A. and Downes, J. and Plucinski, L. and Bernardis, S. and O'Donnell, C. and Smith, K.},
abstractNote = {The electronic structure of thin films of the organic semiconductor vanadyl phthalocyanine has been studied using synchrotron radiation-excited resonant soft X-ray emission spectroscopy, resonant inelastic soft X-ray scattering, X-ray absorption spectroscopy, and X-ray photoemission spectroscopy. The C, N, V, and O partial densities of states for both the valence and conduction bands have been determined, as well as the core level electronic structure. Good agreement was found between the experimental measurements of the valence and conduction bands, and the results of a density functional calculation.},
doi = {10.1039/b613274j},
journal = {Journal of Materials Chemistry},
number = ,
volume = 17,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}
  • The electronic structure of the organic semiconductor titanyl phthalocyanine (TiO-Pc) has been investigated using synchrotron radiation-excited X-ray emission and absorption spectroscopies. The C and N K-edge spectra display similarities with those recorded from other metal-Pcs, while the O K-edge and Ti L-edge spectra support the premise that the titanyl species are spatially isolated. Good agreement is found between a calculation of the partial density of states and the measured spectra, although the Ti L-edge spectra differ from a previous study. Two energy loss features are reported from resonant X-ray inelastic scattering at the Ti L-edge associated with O 2p-Ti 3d*more » and N 2p-Ti 3d* charge transfer transitions.« less
  • No abstract prepared.
  • We have investigated the interfacial and electrical properties of vanadyl-phthalocyanine (VOPc) metal-insulator-semiconductor devices by the measurement of capacitance and conductance. The devices have been fabricated on ordered para-sexiphenyl (p-6P) layer with silicon nitride (SiN{sub x}) as gate insulator. The VOPc/p-6P/SiN{sub x} devices have shown a negligible hysteresis, low series resistance, and high operated frequency. Bulk traps have been distinguished from interface traps by two loss peaks in conductance measurement. Trap densities and distribution of trap energy level have been obtained. The improved properties indicate that VOPc/ p-6P devices with SiN{sub x} insulator hold a great promise of application in flexiblemore » displays.« less
  • Reactions in the ZnO-VO{sub 2}-O{sub 2}O{sub 5} system afford the new phase Zn{sub 2}VO(PO{sub 4}){sub 2}, the structure of which was determined by the single-crystal X-ray diffraction method (I4cm, a = 8.9227(13), c = 9.039(3) {angstrom}, Z = 4, R = 0.026 for 228 unique reflections). The structure consists of infinite chains of corner-sharing VO{sub 6} octahedra along the c-axis and finite chains of edge-sharing ZnO{sub 5} and PO{sub 4} polyhedra parallel to the < 110 > directions. The VO{sub 6} octahedra are distorted such that alternately long and short V-O bonds along the axis of the infinite chain aremore » formed. The Zn{sup 2+} ions exhibit a square pyramidal coordination.« less
  • The new M[sup 2+]/V[sup 4+]/P/O phase [Ni([sub 2]O)[sub 4]][VO(PO[sub 4])][sub 2] was prepared by hydrothermal synthesis and characterized by X-ray crystallography and thermogravimetric analysis. Crystal data: tetragonal space group I4/mmm, a = 6.251(1)[angstrom], c = 13.338(3)[angstrom], V = 521.2(3)[angstrom][sup 3], Z = 2, D[sub calc] = 2.845 g/cm[sup 3]; structure solution and refinement based on 176 reflections with I[sub 0] [ge] 3[sigma](I[sub 0]) (MoK[alpha] radiation, [lambda] = 0.71073 [angstrom]) converged at R = 0.0564. The structure consists of (VO(PO[sub 4])) layers, constructed from VO[sub 5] square pyramids and PO[sub 4] tetrahedra, linked by NiO[sub 6] octahedra. The structure is distinctmore » from that of Ni[sub 0.5][VO(PO[sub 4])][center dot]1.5H[sub 2]O, which exhibits a three-dimensional network structure with tunnels accommodating the aquo ligands.« less