scholarly journals Density Functional Theory Study of Ni Clusters Supported on the ZrO2 (111) Surface

Fuel Cells ◽  
2016 ◽  
Vol 17 (2) ◽  
pp. 125-131 ◽  
Author(s):  
A. Cadi-Essadek ◽  
A. Roldan ◽  
N. H. de Leeuw
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Ni Clusters

scholarly journals Stability and mobility of supported Nin (n = 1–10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study

2018 ◽  
Vol 208 ◽  
pp. 87-104 ◽  
Author(s):  
Abdelaziz Cadi-Essadek ◽  
Alberto Roldan ◽  
Nora H. de Leeuw
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Spin Polarized ◽  
Ni Clusters

We have used spin polarized density functional theory (DFT) to evaluate the geometrical resilience of Ni clusters on ZrO2(111) and YSZ(111).

scholarly journals Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study

2010 ◽  
Vol 82 (5) ◽  
Author(s):  
Sanjubala Sahoo ◽  
Alfred Hucht ◽  
Markus E. Gruner ◽  
Georg Rollmann ◽  
Peter Entel ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Ni Clusters
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