A first-principles study of stability of surface confined mixed metal oxides with corundum structure (Fe2O3, Cr2O3, V2O3)

2018 ◽  
Vol 20 (10) ◽  
pp. 7073-7081 ◽  
Author(s):  
A. S. M. Jonayat ◽  
Alan Kramer ◽  
Luca Bignardi ◽  
Paolo Lacovig ◽  
Silvano Lizzit ◽  
...  
Keyword(s):  
Metal Oxides ◽  
First Principles ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
First Principles Study ◽  
Corundum Structure ◽  
Pure Oxide ◽  
The Stability

Surface-confined mixed corundum metal oxides stability is shown to follow the stability trend of their similar pure oxide terminations.

Reducing N2O formation over CO‐SCR systems with CuCe mixed metal oxides

ChemCatChem ◽  
2021 ◽  
Author(s):  
Ruobing Sun ◽  
Feng Yu ◽  
Yinji Wan ◽  
Keke Pan ◽  
Wenjian Li ◽  
...  
Keyword(s):  
Metal Oxides ◽  
Mixed Metal Oxides ◽  
N2o Formation ◽  
Mixed Metal

First-principles study of the stability of the icosahedralTi13,Ti13−1,andTi13+1clusters

2002 ◽  
Vol 65 (16) ◽  
Author(s):  
Shan-Ying Wang ◽  
Wenhui Duan ◽  
Dong-Liang Zhao ◽  
Chong-Yu Wang
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
The Stability

scholarly journals Single- and Double-Site Substitutions in Mixed-Metal Oxides: Adjusting the Band Edges Toward the Water Redox Couples

2016 ◽  
Vol 120 (34) ◽  
pp. 19175-19188 ◽  
Author(s):  
Jonathan Boltersdorf ◽  
Brandon Zoellner ◽  
Chris M. Fancher ◽  
Jacob L. Jones ◽  
Paul A. Maggard
Keyword(s):  
Metal Oxides ◽  
Mixed Metal Oxides ◽  
Mixed Metal ◽  
Redox Couples
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