scholarly journals Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

2015 ◽  
Vol 8 (5) ◽  
pp. 1404-1427 ◽  
Author(s):  
Wesley T. Hong ◽  
Marcel Risch ◽  
Kelsey A. Stoerzinger ◽  
Alexis Grimaud ◽  
Jin Suntivich ◽  
...  

The rational design of non-precious transition metal perovskite oxide catalysts holds exceptional promise for understanding and mastering the kinetics of oxygen electrocatalysis instrumental to artificial photosynthesis, solar fuels, fuel cells, electrolyzers, and metal–air batteries.

2014 ◽  
Vol 16 (6) ◽  
pp. 2297-2304 ◽  
Author(s):  
Koffi P. C. Yao ◽  
Yi-Chun Lu ◽  
Chibueze V. Amanchukwu ◽  
David G. Kwabi ◽  
Marcel Risch ◽  
...  

2020 ◽  
Vol 8 (16) ◽  
pp. 7956-7967 ◽  
Author(s):  
Holger Euchner ◽  
Jin Hyun Chang ◽  
Axel Groß

Stability and kinetics of Li-rich transition metal oxides and oxyfluorides are extensively studied by DFT.


2015 ◽  
Vol 34 (5) ◽  
Author(s):  
Zbigniew Grzesik

AbstractIn the present paper the theoretical basis and experimental verification of a method, enabling the calculation of defect concentration and their mobility in transition metal oxides and sulphides have been described. The idea of proposed method consists in determination of both these parameters in indirect way, i.e. in studying the influence of aliovalent metallic additions on the oxidation kinetics of a given metal (doping effect). It has been shown that from the results of oxidation kinetics of binary alloys, the enthalpy and entropy of defect formation and their migration can be calculated. These data, in turn, can be used for the calculation of defect concentration and defect mobility in pure, undoped oxides. Such a possibility has been illustrated on the example of nonstoichiometric nickel oxide, Ni


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