Defect Disorder of TiO2. Equilibrium Constant for the Formation of Oxygen Vacancies

2014 ◽  
Vol 3 (11) ◽  
pp. Q71-Q75 ◽  
Author(s):  
J. Nowotny ◽  
T. Bak ◽  
M. A. Alim
Keyword(s):  
Equilibrium Constant ◽  
Oxygen Vacancies ◽  
Defect Disorder

Conditions for atomic imaging of mullite

1989 ◽  
Vol 47 ◽  
pp. 418-419
Author(s):  
T. A. Epicier ◽  
G. Thomas
Keyword(s):  
Oxygen Vacancies ◽  
High Resolution Electron Microscopy ◽  
Ceramic Materials ◽  
Work Conditions ◽  
Real Space ◽  
Potential Candidate ◽  
Silicate Mineral ◽  
Resolution Electron ◽  
The Subject ◽  
Aluminium Silicate

Mullite is an aluminium-silicate mineral of current interest since it is a potential candidate for high temperature applications in the ceramic materials field.In the present work, conditions under which the structure of mullite can be optimally imaged by means of High Resolution Electron Microscopy (HREM) have been investigated. Special reference is made to the Atomic Resolution Microscope at Berkeley which allows real space information up to ≈ 0.17 nm to be directly transferred; numerous multislice calculations (conducted with the CEMPAS programs) as well as extensive experimental through-focus series taken from a commercial “3:2” mullite at 800 kV clearly show that a resolution of at least 0.19 nm is required if one wants to get a straightforward confirmation of atomic models of mullite, which is known to undergo non-stoichiometry associated with the presence of oxygen vacancies.Indeed the composition of mullite ranges from approximatively 3Al2O3-2SiO2 (referred here as 3:2-mullite) to 2Al2O3-1SiO2, and its structure is still the subject of refinements (see, for example, refs. 4, 5, 6).

Calculation of Equilibrium Constant for Dimerization of Heavy Water Molecules in Saturated Vapor

2015 ◽  
Vol 60 (3) ◽  
pp. 263-267
Author(s):  
L.A. Bulavin ◽  
◽  
S.V. Khrapatyi ◽  
V.M. Makhlaichuk ◽  
Keyword(s):  
Equilibrium Constant ◽  
Heavy Water ◽  
Saturated Vapor ◽  
Water Molecules

Investigation of Some Characterizations of Black TiO\(_2\) Nanotubes Via Spectroscopic Methods

2019 ◽  
Vol 29 (2) ◽  
pp. 189 ◽  
Author(s):  
Tho Truong Nguyen ◽  
Thi Minh Cao ◽  
Hieu Van Le ◽  
Viet Van Pham
Keyword(s):  
Water Splitting ◽  
Oxygen Vacancies ◽  
Light Response ◽  
Nanotube Arrays ◽  
Spectroscopic Methods ◽  
Visible Light Response ◽  
Uv Visible ◽  
Visible Reflectance ◽  
Splitting Effect ◽  
Anodization Method

The black TiO\(_2\) with substantial Ti\(^3+\) and oxygen vacancies exhibit an excellent photoelectrochemical water-splitting performance due to the improved charge transport the extended visible light response. In this study, black TiO\(_2\) nanotube arrays synthesized by the anodization method, and then, they have been investigated some characterizations by spectroscopic methods such as UV-visible reflectance (UV-vis DRS), Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, and photoluminescence spectrum. The results showed that some highlighted properties of the black TiO2 nanotube arrays and they could apply for water-splitting effect.

Oxygen Vacancies in Zirconium Oxide as the Blue Luminescence Centers and Traps Responsible for Charge Transport

2020 ◽  
Author(s):  
Damir R. Islamov ◽  
Vladimir A. Gritsenko ◽  
Timofey V. Perevalov ◽  
Vladimir Sh. Aliev ◽  
Alexander P. Yelisseyev ◽  
...  
Keyword(s):  
Charge Transport ◽  
Zirconium Oxide ◽  
Oxygen Vacancies ◽  
Blue Luminescence ◽  
Luminescence Centers

The reaction of nickel(II) bis(diethyldithiocarbamate) with N,N,N',N'-tetraethyl thiuramdisulphide

1985 ◽  
Vol 50 (8) ◽  
pp. 1648-1660 ◽  
Author(s):  
Ernest Beinrohr ◽  
Andrej Staško ◽  
Ján Garaj
Keyword(s):  
Equilibrium Constant ◽  
Rate Constants

The oxidation of nickel(II) bis(diethyldithiocarbamate) (NiL2) by N,N,N',N'-tetraethyl thiuramdisulphide (tds) can be described by the equation 2 NiL2 + tds ⇄ 2 NiL3 (NiL3 = tris(diethyldithiocarbamate) nickel(III)). The equilibrium constant of the reaction depends on the polarity of the solvent (4.4 . 10-3 in toluene, 1.3 . 10-3 in chloroform, and 8 . 10-4 in acetone and methanol). The rate constants k1 and k-2 and the ratio k2/k-1 were found for the reaction steps NiL2 + tds ⇄ NiL3 + L. and NiL2 + L. ⇄ NiL3, where L. is the (C2H5)2NCS2. radical.

Complete monotonicity of entropy production in chemical reaction

1981 ◽  
Vol 46 (2) ◽  
pp. 452-456
Author(s):  
Milan Šolc
Keyword(s):  
Entropy Production ◽  
Equilibrium Constant ◽  
Chemical Reaction ◽  
Relative Entropy ◽  
Order Reaction ◽  
Complete Monotonicity ◽  
First Order Reaction ◽  
First Order ◽  
Completely Monotonic ◽  
Derivatives Of

The successive time derivatives of relative entropy and entropy production for a system with a reversible first-order reaction alternate in sign. It is proved that the relative entropy for reactions with an equilibrium constant smaller than or equal to one is completely monotonic in the whole definition interval, and for reactions with an equilibrium constant larger than one this function is completely monotonic at the beginning of the reaction and near to equilibrium.

Formation of spiro adduct from N-methyl-N-(2,4,6-trinitrophenyl)glycine anion

1989 ◽  
Vol 54 (2) ◽  
pp. 440-445 ◽  
Author(s):  
Vladimír Macháček ◽  
Alexandr Čegan ◽  
Miloš Sedlák ◽  
Vojeslav Štěrba
Keyword(s):  
Nmr Spectroscopy ◽  
Dimethyl Sulfoxide ◽  
Equilibrium Constant ◽  
Mole Fraction ◽  
Nucleophilic Addition ◽  
Adduct Formation ◽  
First Case ◽  
C Nmr

The intramolecular nucleophilic addition of N-methyl-N-(2,4,6-trinitrophenyl)glycine anion in methanol-dimethyl sulfoxide mixtures produces spiro[(3-methyl-5-oxazolidinone)-2,1'-(2',4',6'-trinitrobenzenide)]. The spiro adduct has been identified by means of 1H and 13C NMR spectroscopy. This is the first case when the formation of a Meisenheimer adduct with carboxylate ion is observed. Logarithm of the equilibrium constant of adduct formation increases linearly with the mole fraction of dimethyl sulfoxide in its mixture with methanol.

Chemical equilibrium and chemical kinetics

2018 ◽  
Author(s):  
Dennis Sherwood ◽  
Paul Dalby
Keyword(s):  
Free Energy ◽  
Equilibrium Constant ◽  
Gibbs Free Energy ◽  
Chemical Kinetics ◽  
Chemical Equilibrium ◽  
First Principles ◽  
Effect Of Temperature ◽  
Total System ◽  
Free Energies

Building on the previous chapter, this chapter examines gas phase chemical equilibrium, and the equilibrium constant. This chapter takes a rigorous, yet very clear, ‘first principles’ approach, expressing the total Gibbs free energy of a reaction mixture at any time as the sum of the instantaneous Gibbs free energies of each component, as expressed in terms of the extent-of-reaction. The equilibrium reaction mixture is then defined as the point at which the total system Gibbs free energy is a minimum, from which concepts such as the equilibrium constant emerge. The chapter also explores the temperature dependence of equilibrium, this being one example of Le Chatelier’s principle. Finally, the chapter links thermodynamics to chemical kinetics by showing how the equilibrium constant is the ratio of the forward and backward rate constants. We also introduce the Arrhenius equation, closing with a discussion of the overall effect of temperature on chemical equilibrium.

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