Theoretical study for magnetic effect in dissociative adsorption of oxygen to a platinum monolayer on Ni(110) surface

2012 ◽  
Vol 12 (3) ◽  
pp. 794-797 ◽  
Author(s):  
M.M. Rahman ◽  
R. Muhida ◽  
M.S.H. Chowdhury ◽  
H. Zainuddin ◽  
B.Z. Azmi ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Dissociative Adsorption ◽  
Magnetic Effect ◽  
Platinum Monolayer

Theoretical study of dissociative adsorption of Cl2 on the Al surface

1995 ◽  
Vol 324 (2-3) ◽  
pp. 106-112 ◽  
Author(s):  
Kunihiro Mitsutake ◽  
Jun Yamauchi ◽  
Akira Sakai ◽  
Masaru Tsukada
Keyword(s):  
Theoretical Study ◽  
Dissociative Adsorption

Dissociative adsorption of a multifunctional compound on a semiconductor surface: a theoretical study of the adsorption of hydroxylamine on Ge(100)

2018 ◽  
Vol 20 (22) ◽  
pp. 15335-15343 ◽  
Author(s):  
Hyunkyung Park ◽  
Do Hwan Kim
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Theoretical Study ◽  
Dissociative Adsorption ◽  
Adsorption Behavior ◽  
Semiconductor Surface ◽  
Functional Theory

The adsorption behavior of hydroxylamine on a Ge(100) surface was investigated using density functional theory (DFT) calculations.

A novel theoretical study of thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto a Si(001) surface

RSC Advances ◽  
2016 ◽  
Vol 6 (2) ◽  
pp. 1491-1502 ◽  
Author(s):  
Yung Ting Lee ◽  
Jyh Shing Lin
Keyword(s):  
Wavelet Transform ◽  
Theoretical Study ◽  
Md Simulations ◽  
Dissociative Adsorption ◽  
Molecular Adsorption ◽  
Temperature Dependent ◽  
Thermally Induced ◽  
Vibration Dynamics ◽  
Induced Reaction

The thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto a Si(001) surface is studied by combining temperature-dependent DFT-based MD simulations with molecular adsorption sampling and wavelet transform.

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