Kinetic Monte Carlo Simulation of PdZn Alloying and Density Functional Study of PdZn Surface Reactivity towards Water Dissociation

ChemCatChem ◽  
2015 ◽  
Vol 7 (13) ◽  
pp. 1926-1930 ◽  
Author(s):  
Feng Cheng ◽  
Zhao-Xu Chen
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Kinetic Monte Carlo ◽  
Surface Reactivity ◽  
Water Dissociation ◽  
Functional Study ◽  
Kinetic Monte Carlo Simulation ◽  
Density Functional Study

Kinetic Monte Carlo and density functional study of hydrogen diffusion in magnesium hydride MgH2

2013 ◽  
Vol 38 (20) ◽  
pp. 8350-8356 ◽  
Author(s):  
M. Lakhal ◽  
M. Bhihi ◽  
H. Labrim ◽  
A. Benyoussef ◽  
S. Naji ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Density Functional ◽  
Hydrogen Diffusion ◽  
Kinetic Monte Carlo ◽  
Magnesium Hydride ◽  
Functional Study ◽  
Density Functional Study

Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study

2007 ◽  
Vol 126 (13) ◽  
pp. 135102 ◽  
Author(s):  
Ke Wang ◽  
Yang-Xin Yu ◽  
Guang-Hua Gao ◽  
Guang-Sheng Luo
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Preferential Interaction

scholarly journals Kinetic Monte Carlo simulation of the growth of In nanostructures by droplet epitaxy on AlGaAs nanopatterned surfaces

2020 ◽  
Vol 1695 ◽  
pp. 012016
Author(s):  
S V Balakirev ◽  
M S Solodovnik ◽  
M M Eremenko ◽  
N E Chernenko ◽  
O A Ageev
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Droplet Epitaxy ◽  
Kinetic Monte Carlo Simulation
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