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

Feng Cheng; Zhao-Xu Chen

doi:10.1002/cctc.201500366

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

ChemCatChem ◽

10.1002/cctc.201500366 ◽

2015 ◽

Vol 7 (13) ◽

pp. 1926-1930 ◽

Cited By ~ 2

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

Download Full-text

Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: Grand canonical Monte Carlo simulation and density-functional study

The Journal of Chemical Physics ◽

10.1063/1.2013247 ◽

2005 ◽

Vol 123 (11) ◽

pp. 114705 ◽

Cited By ~ 30

Author(s):

Feng-Qi You ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Hard Core ◽

Functional Study ◽

Grand Canonical Monte Carlo ◽

Density Functional Study ◽

Grand Canonical

Download Full-text

Structure and Adsorption of A Hard-Core Multi-Yukawa Fluid Confined in A Slitlike Pore: Grand Canonical Monte Carlo Simulation and Density Functional Study

The Journal of Physical Chemistry B ◽

10.1021/jp055299s ◽

2006 ◽

Vol 110 (1) ◽

pp. 334-341 ◽

Cited By ~ 40

Author(s):

Yang-Xin Yu ◽

Feng-Qi You ◽

Yiping Tang ◽

Guang-Hua Gao ◽

Yi-Gui Li

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Hard Core ◽

Functional Study ◽

Grand Canonical Monte Carlo ◽

Density Functional Study ◽

Yukawa Fluid ◽

Grand Canonical

Download Full-text

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

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2013.04.157 ◽

2013 ◽

Vol 38 (20) ◽

pp. 8350-8356 ◽

Cited By ~ 27

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

Download Full-text

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

The Journal of Chemical Physics ◽

10.1063/1.2713105 ◽

2007 ◽

Vol 126 (13) ◽

pp. 135102 ◽

Cited By ~ 11

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

Download Full-text

Kinetic Monte Carlo and density functional study of hydrogen enhanced dislocation glide in silicon

The European Physical Journal B ◽

10.1140/epjb/e2006-00215-9 ◽

2006 ◽

Vol 51 (2) ◽

pp. 195-208 ◽

Cited By ~ 3

Author(s):

S. Scarle ◽

C. P. Ewels

Keyword(s):

Monte Carlo ◽

Density Functional ◽

Kinetic Monte Carlo ◽

Functional Study ◽

Density Functional Study ◽

Dislocation Glide

Download Full-text

Adsorption of CO and desorption of CO2 interacting with Pt (111) surface: a combined density functional theory and Kinetic Monte Carlo simulation

Adsorption ◽

10.1007/s10450-020-00202-x ◽

2020 ◽

Vol 26 (3) ◽

pp. 461-469

Author(s):

Michael Rivera Mananghaya

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Kinetic Monte Carlo ◽

Functional Theory ◽

Kinetic Monte Carlo Simulation ◽

Adsorption Of Co

Download Full-text

Density Functional Kinetic Monte Carlo Simulation of Water–Gas Shift Reaction on Cu/ZnO

The Journal of Physical Chemistry C ◽

10.1021/jp3114286 ◽

2013 ◽

Vol 117 (7) ◽

pp. 3414-3425 ◽

Cited By ~ 29

Author(s):

Liu Yang ◽

Altaf Karim ◽

James T. Muckerman

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Kinetic Monte Carlo ◽

Water Gas Shift ◽

Water Gas Shift Reaction ◽

Kinetic Monte Carlo Simulation ◽

Shift Reaction ◽

Water Gas

Download Full-text

Ghost‐Mirror Approach for Accurate and Efficient Kinetic Monte Carlo Simulation of Seeded Emulsion Polymerization

Macromolecular Theory and Simulations ◽

10.1002/mats.202000033 ◽

2020 ◽

pp. 2000033 ◽

Cited By ~ 2

Author(s):

Amit K. Tripathi ◽

John G. Tsavalas

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Emulsion Polymerization ◽

Kinetic Monte Carlo ◽

Seeded Emulsion Polymerization ◽

Kinetic Monte Carlo Simulation

Download Full-text

Transport and Annihilation of the Triplets in Organic Phosphorescent Systems: Kinetic Monte Carlo Simulation and Modeling

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10138 ◽

2021 ◽

Author(s):

Mehdi Ansari-Rad

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Kinetic Monte Carlo ◽

Simulation And Modeling ◽

Kinetic Monte Carlo Simulation

Download Full-text

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

Journal of Physics Conference Series ◽

10.1088/1742-6596/1695/1/012016 ◽

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

Download Full-text