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 As(100) surface reconstruction of GaAs

Physica B+C ◽  
1983 ◽  
Vol 117-118 ◽  
pp. 798-800 ◽  
Author(s):  
D.J. Chadi ◽  
J. Ihm ◽  
C. Tanner ◽  
J.D. Joannopoulos
Keyword(s):  
Surface Reconstruction ◽  
Theoretical Study

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 surface dependence of NH3 adsorption and decomposition on spinel-type MgAl2O4

RSC Advances ◽  
2015 ◽  
Vol 5 (95) ◽  
pp. 77973-77985 ◽  
Author(s):  
Huan Wang ◽  
Chuanyi Jia ◽  
Jing Yang ◽  
Xian Zhao ◽  
Yanlu Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Surface Reconstruction ◽  
Density Functional ◽  
Theoretical Study ◽  
Spinel Type ◽  
Functional Theory ◽  
Oxygen Defects ◽  
Nh3 Adsorption ◽  
Adsorption And Dissociation

The effects of the surface reconstruction and oxygen defects on the NH3 adsorption and dissociation on MgAl2O4 (100), (110), and (111) surfaces were studied based on density functional theory (DFT) slab calculations.

Optically probing Al—O and O—H vibrations to characterize water adsorption and surface reconstruction on α-alumina: An experimental and theoretical study

2015 ◽  
Vol 142 (5) ◽  
pp. 054704 ◽  
Author(s):  
Yujin Tong ◽  
Jonas Wirth ◽  
Harald Kirsch ◽  
Martin Wolf ◽  
Peter Saalfrank ◽  
...  
Keyword(s):  
Surface Reconstruction ◽  
Water Adsorption ◽  
Theoretical Study
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