scholarly journals Theoretical study of metal/silica interfaces: Ti, Fe, Cr and Ni on β-cristobalite

2020 ◽  
Vol 22 (37) ◽  
pp. 21453-21462
Author(s):  
Jacopo Baima ◽  
Ha-Linh Thi Le ◽  
Jacek Goniakowski ◽  
Claudine Noguera ◽  
Alexey Koltsov ◽  
...  
Keyword(s):  
Transition Metals ◽  
Surface Reconstruction ◽  
Theoretical Study ◽  
Silica Surface ◽  
Transition Elements ◽  
Strong Adhesion ◽  
Early Transition

In contrast with late or post-transition metals, early transition elements lift the silica surface reconstruction and promote strong adhesion at the metal/silica interface.

Theoretical study of acetylide complexes of early transition metals †

1997 ◽  
pp. 3841-3844 ◽  
Author(s):  
Filippo De Angelis ◽  
Nazzareno Re ◽  
Marzio Rosi ◽  
Antonio Sgamellotti ◽  
Carlo Floriani
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Early Transition

scholarly journals Theoretical study of the Si(100) surface reconstruction

1995 ◽  
Vol 51 (20) ◽  
pp. 14504-14523 ◽  
Author(s):  
A. Ramstad ◽  
G. Brocks ◽  
P. J. Kelly
Keyword(s):  
Surface Reconstruction ◽  
Theoretical Study

Theoretical Study of the Adsorption of Organophosphorous Compounds to Models of a Silica Surface

2013 ◽  
Vol 117 (28) ◽  
pp. 14625-14634 ◽  
Author(s):  
Diego Troya ◽  
Angela C. Edwards ◽  
John R. Morris
Keyword(s):  
Theoretical Study ◽  
Silica Surface ◽  
Organophosphorous Compounds
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