scholarly journals Determination of the Gibbs Formation Energy of CuGaSe2 by EMF Method

2020 ◽  
pp. 9049-9065
Author(s):  
Muhsin Ider ◽  
Keyword(s):  
Formation Energy ◽  
Emf Method

On the Possibility of Determination of Thermodynamic Functions of the Li–S Electrochemical System Using the EMF Method

2019 ◽  
Vol 55 (10) ◽  
pp. 978-988
Author(s):  
E. V. Kuz’mina ◽  
E. V. Karaseva ◽  
N. V. Chudova ◽  
A. A. Mel’nikova ◽  
V. S. Kolosnitsyn
Keyword(s):  
Thermodynamic Functions ◽  
Emf Method ◽  
Electrochemical System

First Principles Computer Simulation of the Defect Chemistry of Rutile TiO2

1996 ◽  
Vol 453 ◽  
Author(s):  
I. Dawson ◽  
P. D. Bristowe ◽  
J. A. White ◽  
M. C. Payne
Keyword(s):  
First Principles ◽  
Formation Energy ◽  
Experimental Studies ◽  
Parallel Computer ◽  
Model Calculations ◽  
Interesting Insight ◽  
First Results ◽  
Dominant Point ◽  
Defect Mechanism

AbstractThere exists a long-standing controversy concerning the nature of the dominant point defect mechanism in rutile TiO2. Previous classical shell model calculations by Catlow el al [1] find a strong preference for Schottky as opposed to Frenkel-type defects, lending support for oxygen vacancy rather than titanium interstitial compensation in reduced rutile. However, reviews of experimental studies [2], show that many conflicting conclusions have been reached. Ab initio total-energy calculations have been performed on a parallel computer to help resolve this controversy. First results indicate a Schottky formation energy (of the bound Schottky trio) consistent with the Mott-Littleton values of Catlow et al [1]. A first attempt is made at calculating the heat of reduction through determination of the formation energy of a neutral oxygen atom vacancy. As a. result some interesting insight is gained into the redox chemistry of reduced rutile.

Determination of thermodynamic properties of Ca 4 Fe 9 O 17 by solid state EMF method

2016 ◽  
Vol 658 ◽  
pp. 939-945 ◽  
Author(s):  
Markus Aspiala ◽  
Taufiq Hidayat ◽  
Pekka Taskinen ◽  
Evgueni Jak
Keyword(s):  
Solid State ◽  
Thermodynamic Properties ◽  
Emf Method

Determination of thermodynamic data of Ln1.85Ce0.15CuO4 and Ln2CuO4 (Ln=Nd,Sm,Eu) by the EMF method

1992 ◽  
Vol 195 (3-4) ◽  
pp. 269-276 ◽  
Author(s):  
Yayushi Idemoto ◽  
Isao Oyagi ◽  
Kazuo Fueki
Keyword(s):  
Thermodynamic Data ◽  
Emf Method
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