Modeling Adsorption of the Uranyl Dication on the Hydroxylated α-Al2O3(0001) Surface in an Aqueous Medium. Density Functional Study

Langmuir ◽  
2006 ◽  
Vol 22 (5) ◽  
pp. 2141-2145 ◽  
Author(s):  
Lyudmila V. Moskaleva ◽  
Vladimir A. Nasluzov ◽  
Notker Rösch
Keyword(s):  
Aqueous Medium ◽  
Density Functional ◽  
Functional Study ◽  
Medium Density ◽  
Density Functional Study ◽  
Α Al2o3

Cu, Ag and Au atoms deposited on the α-Al2O3(0001) surface: a comparative density functional study

2005 ◽  
Vol 575 (1-2) ◽  
pp. 189-196 ◽  
Author(s):  
Norge Cruz Hernández ◽  
Jesús Graciani ◽  
Antonio Márquez ◽  
Javier Fdez Sanz
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Α Al2o3

Nanosized CoO Films on the α-Al2O3 (0001) Surface: A Density Functional Study

2013 ◽  
Vol 117 (44) ◽  
pp. 22714-22722 ◽  
Author(s):  
Ala’ Zayed ◽  
Antonio M. Márquez ◽  
Javier Fdez. Sanz
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Α Al2o3

Adsorption of Pd and Pt atoms on α-Al2O3(): density functional study of cluster models embedded in an elastic polarizable environment

2003 ◽  
Vol 525 (1-3) ◽  
pp. 173-183 ◽  
Author(s):  
Vladimir V. Rivanenkov ◽  
Vladimir A. Nasluzov ◽  
Alexey M. Shor ◽  
Konstantin M. Neyman ◽  
Notker Rösch
Keyword(s):  
Density Functional ◽  
Cluster Models ◽  
Functional Study ◽  
Density Functional Study ◽  
Α Al2o3
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