Density-functional study of water adsorption on thePuO2(110)surface

2002 ◽  
Vol 65 (8) ◽  
Author(s):  
Xueyuan Wu ◽  
Asok K. Ray
Keyword(s):  
Density Functional ◽  
Water Adsorption ◽  
Functional Study ◽  
Density Functional Study

Exploring the water adsorption and reactivity in series of doped aluminum cluster anions

2021 ◽  
Author(s):  
Martin Šulka ◽  
Katarína Šulková ◽  
Andrej Antusek
Keyword(s):  
Density Functional ◽  
Water Adsorption ◽  
Functional Study ◽  
Cluster Anions ◽  
Aluminum Cluster ◽  
Density Functional Study ◽  
In Series ◽  
Adsorption Of Water

We present a systematic density functional study of central- and surface-doped aluminum cluster anions Al12X- (X=Mg, B, Ga, Si, P, Sc-Zn), their interactions and reactivity with water. Adsorption of water...

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