Lattice instability induced by 3d impurities in a zinc selenide crystal

2008 ◽  
Vol 50 (9) ◽  
pp. 1766-1771 ◽  
Author(s):  
V. I. Sokolov ◽  
S. F. Dubinin ◽  
V. V. Gudkov ◽  
A. T. Lonchakov
2016 ◽  
Vol 75 (3) ◽  
pp. 279-284 ◽  
Author(s):  
V. P. Makhniy ◽  
O. V. Kinzersky ◽  
I. M. Senko
Keyword(s):  

Catalysts ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 312 ◽  
Author(s):  
Antonella Glisenti ◽  
Andrea Vittadini

The effects of modifying the composition of LaCoO3 on the catalytic activity are predicted by density functional calculations. Partially replacing La by Sr ions has benefical effects, causing a lowering of the formation energy of O vacancies. In contrast to that, doping at the Co site is less effective, as only 3d impurities heavier than Co are able to stabilize vacancies at high concentrations. The comparison of the energy profiles for CO oxidation of undoped and of Ni-, Cu-m and Zn-doped (La,Sr)CoO3(100) surface shows that Cu is most effective. However, the effects are less spectacular than in the SrTiO3 case, due to the different energetics for the formation of oxygen vacancies in the two hosts.


1973 ◽  
Vol 6 (23) ◽  
pp. 3491-3500 ◽  
Author(s):  
A W Livingstone ◽  
J W Allen

2003 ◽  
Vol 45 (3) ◽  
pp. 449-452 ◽  
Author(s):  
N. V. Lugueva ◽  
S. M. Luguev ◽  
A. A. Dunaev

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