Role of Ag-doping in small transition metal clusters from first-principles simulations

2009 ◽  
Vol 131 (18) ◽  
pp. 184301 ◽  
Author(s):  
S. F. Li ◽  
Zelun Shao ◽  
Shuli Han ◽  
Xinlian Xue ◽  
F. Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Clusters ◽  
Transition Metal Clusters ◽  
Ag Doping

Role of population analysis in LCAO-MO theory of transition-metal clusters

1975 ◽  
Vol 25 (11) ◽  
pp. 1201-1207 ◽  
Author(s):  
J. Málek ◽  
R. A. Evarestov ◽  
A. N. Ermoshkin ◽  
B. Hejda ◽  
K. Polák
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Population Analysis ◽  
Transition Metal Clusters ◽  
Lcao Mo Theory ◽  
Lcao Mo ◽  
Mo Theory

Role of Quantum-size Effects on the Dehydrogenation of CH4 on 3d TMn Clusters: DFT Calculations Combined with Data Mining

2022 ◽  
Author(s):  
Karla Furtado Andriani ◽  
Priscilla Felício Sousa ◽  
Felipe Orlando Morais ◽  
Juarez L. F. Da Silva
Keyword(s):  
Data Mining ◽  
Transition Metal ◽  
Dft Calculations ◽  
Theoretical Investigation ◽  
Size Effects ◽  
Metal Clusters ◽  
Quantum Size Effects ◽  
Transition Metal Clusters ◽  
Quantum Size

In this work, we report a theoretical investigation of the role of quantum-size effects (QSE) on the dehydrogenation of methane (CH4) on 3d transition-metal clusters, TMn , where TM =...

Role of the metal-metal bond in transition-metal clusters. Phosphido-bridged diiron carbonyl complexes

1982 ◽  
Vol 21 (1) ◽  
pp. 146-156 ◽  
Author(s):  
James P. Collman ◽  
Richard K. Rothrock ◽  
Richard G. Finke ◽  
Eric J. Moore ◽  
Francoise. Rose-Munch
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Carbonyl Complexes ◽  
Transition Metal Clusters ◽  
Metal Bond ◽  
Metal Metal

scholarly journals First-principles studies on graphene-supported transition metal clusters

2014 ◽  
Vol 141 (7) ◽  
pp. 074707 ◽  
Author(s):  
Sanjubala Sahoo ◽  
Markus E. Gruner ◽  
Shiv N. Khanna ◽  
Peter Entel
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Clusters ◽  
Transition Metal Clusters
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