Kinetics of Electrochromic Effect in Amorphous Tungsten Trioxide Films

1996 ◽  
Vol 453 ◽  
Author(s):  
I. A. Konovalov ◽  
V. B. Nechitajlo ◽  
E. Shushakova
Keyword(s):  
Electronic Structure ◽  
Optical Density ◽  
Spectral Range ◽  
Vibrational Spectra ◽  
Tungsten Trioxide ◽  
Electrochemical Cell ◽  
Liquid Electrolyte ◽  
Electrons And Ions ◽  
Electrochromic Effect ◽  
Kinetics Of

AbstractReversible coloration occurs in tungsten trioxide (WO3) films when double injection of electrons and ions is provided in its volume. Experiments were performed in electrochemical cell with liquid electrolyte, where protons were used for injection in amorphous WO3 films. Kinetics of electrochromic coloration process was studied in spectral range of 300 nm to 1200 nm. Dependence of optical density on injected charge was found to be different in various spectral regions for coloring and bleaching. Infrared vibrational spectra of electro-chemically colored crystalline and amorphous WO3 were obtained. Electronic structure features of amorphous WO3 related to electorchromism are discussed.

Kinetics of dye regeneration in liquid electrolyte unveils efficiency of 10.5% in dye-sensitized solar cells

2018 ◽  
Vol 6 (42) ◽  
pp. 11444-11456 ◽  
Author(s):  
Jonnadula Venkata Suman Krishna ◽  
Narra Vamsi Krishna ◽  
Towhid H. Chowdhury ◽  
Suryaprakash Singh ◽  
Idriss Bedja ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Power Conversion ◽  
Dye Sensitized Solar Cells ◽  
Liquid Electrolyte ◽  
Dye Sensitized Solar Cell ◽  
Dye Sensitized ◽  
Dye Regeneration ◽  
Sensitized Solar Cells ◽  
Kinetics Of

We have designed and synthesised four novel porphyrin sensitizers for dye-sensitized solar cell applications and shown power conversion efficiency of 10.5%.

Kinetics of Coloration in Hydrogenated Vanadium Pentoxide Films under an Internal Electrochromic Effect

2018 ◽  
Vol 44 (9) ◽  
pp. 779-782
Author(s):  
S. V. Burdyukh ◽  
O. Ya. Berezina ◽  
P. P. Boriskov ◽  
A. L. Pergament ◽  
D. S. Yakovleva
Keyword(s):  
Vanadium Pentoxide ◽  
Electrochromic Effect ◽  
Kinetics Of

ChemInform Abstract: Cyclic Aryleneazachalcogenenes: Synthesis, Vibrational Spectra, π-Electronic Structure.

ChemInform ◽  
2010 ◽  
Vol 22 (19) ◽  
pp. no-no
Author(s):  
A. V. ZIBAREV ◽  
O. M. FUGAEVA ◽  
A. O. MILLER ◽  
S. N. KONCHENKO ◽  
I. K. KOROBEINICHEVA ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Vibrational Spectra

ChemInform Abstract: VIBRATIONAL SPECTRA AND STRUCTURE OF 1,2,4-TRIAZOLE DERIVATIVES. VI. ELECTRONIC STRUCTURE OF AZIDOTRIAZOLES

1977 ◽  
Vol 8 (48) ◽  
pp. no-no
Author(s):  
V. V. MEL'NIKOV ◽  
L. F. BAEVA ◽  
V. V. STOLPAKOVA ◽  
M. S. PEVZNER ◽  
B. V. GIDASPOV
Keyword(s):  
Electronic Structure ◽  
Vibrational Spectra ◽  
Triazole Derivatives

Borinine (Borabenzene): Its Structure and Vibrational Spectrum. A Quantumchemical Study

1987 ◽  
Vol 42 (4) ◽  
pp. 352-360 ◽  
Author(s):  
Gerhard Raabe ◽  
Wolfgang Schleker ◽  
Eberhard Heyne ◽  
Jörg Fleischhauer
Keyword(s):  
Electronic Structure ◽  
Vibrational Spectrum ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Photoelectron Spectrum ◽  
High Reactivity ◽  
Basis Sets ◽  
Rare Gas ◽  
Ab Initio Theory ◽  
Semiempirical Mndo

Recently we reported the results of some semiempirical and ab initio studies in which we compared the electronic structure of the hitherto unknown borinine with those of benzene and pyridine. The results of our calculations led us to the conclusion that the elusive nature of borabenzene is caused by its high reactivity, which might at least in part be due to the pronounced σ acceptor properties of a low-lying σ* molecular orbital.We now present the results of further ab initio and semiempirical (MNDO) investigations in which we performed full geometry optimizations for the molecule using two different basis sets (STO-3G, 4-31G) and also calculated the vibrational spectra of the 10B and 11B isotopomeric borabenzene molecules at the 4-31 G level of ab initio theory and with the semiempirical MNDO method.The calculated vibrational spectrum might be helpful to the experimentalist in identifying the molecule, for example trapped in a rare gas matrix among the side products.The calculated orbital energies can be useful in identifying the molecule by means of its photoelectron spectrum.

Convergent energies and anharmonic vibrational spectra of Ca2H2 and Ca2H4 constitutional isomers

2019 ◽  
Vol 21 (21) ◽  
pp. 10914-10922 ◽  
Author(s):  
Michael C. Bowman ◽  
Gary E. Douberly ◽  
Henry F. Schaefer
Keyword(s):  
Electronic Structure ◽  
Vibrational Spectra ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Molecular Electronic ◽  
Molecular Electronic Structure

Three constitutional isomers of both Ca2H2 and Ca2H4 have been characterized with molecular electronic structure theory.

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