First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces

Eunja Kim; Philippe F. Weck; Christopher D. Taylor; Olayinka Olatunji-Ojo; Xiang-Yang Liu; Edward Mausolf; Gordon D. Jarvinen; Kenneth R. Czerwinski

doi:10.1149/2.097401jes

First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces

Journal of The Electrochemical Society ◽

10.1149/2.097401jes ◽

2013 ◽

Vol 161 (3) ◽

pp. C83-C88 ◽

Cited By ~ 7

Author(s):

Eunja Kim ◽

Philippe F. Weck ◽

Christopher D. Taylor ◽

Olayinka Olatunji-Ojo ◽

Xiang-Yang Liu ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

First Principles ◽

Kinetic Monte Carlo ◽

Simulation Studies ◽

Kinetic Monte Carlo Simulation

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New Insights into the Mechanism and Kinetics of Adsorbed CO Electrooxidation on Platinum: Online Mass Spectrometry and Kinetic Monte Carlo Simulation Studies

The Journal of Physical Chemistry C ◽

10.1021/jp301292p ◽

2012 ◽

Vol 116 (20) ◽

pp. 11040-11053 ◽

Cited By ~ 30

Author(s):

Hongsen Wang ◽

Zenonas Jusys ◽

R. Jürgen Behm ◽

Héctor D. Abruña

Keyword(s):

Mass Spectrometry ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Kinetic Monte Carlo ◽

Simulation Studies ◽

Kinetic Monte Carlo Simulation ◽

Co Electrooxidation ◽

Mechanism And Kinetics ◽

Adsorbed Co ◽

Kinetics Of

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First principles-based kinetic Monte Carlo simulation in catalysis

Physics of Surface, Interface and Cluster Catalysis ◽

10.1088/978-0-7503-1164-9ch4 ◽

2016 ◽

Cited By ~ 2

Author(s):

Hideaki Kasai

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

First Principles ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulation

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First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions

Industrial & Engineering Chemistry Research ◽

10.1021/ie100999e ◽

2010 ◽

Vol 49 (21) ◽

pp. 10364-10373 ◽

Cited By ~ 31

Author(s):

Donghai Mei ◽

Jincheng Du ◽

Matthew Neurock

Keyword(s):

Nitric Oxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Platinum Nanoparticles ◽

First Principles ◽

Kinetic Monte Carlo ◽

Oxide Reduction ◽

Lean Burn ◽

Kinetic Monte Carlo Simulation ◽

Nitric Oxide Reduction

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First-principles-based kinetic Monte Carlo simulation of nitric oxide decomposition over Pt and Rh surfaces under lean-burn conditions

Molecular Physics ◽

10.1080/00268970410001668471 ◽

2004 ◽

Vol 102 (4) ◽

pp. 361-369 ◽

Cited By ~ 32

Author(s):

Donghai Mei ◽

Qingfeng Ge ◽

Matthew Neurock ◽

Laurent Kieken ◽

Jan Lerou

Keyword(s):

Nitric Oxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

First Principles ◽

Kinetic Monte Carlo ◽

Lean Burn ◽

Kinetic Monte Carlo Simulation ◽

Nitric Oxide Decomposition ◽

Oxide Decomposition

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First-principles-based kinetic Monte Carlo simulation of the selective hydrogenation of acetylene over Pd(111)

Journal of Catalysis ◽

10.1016/j.jcat.2006.05.009 ◽

2006 ◽

Vol 242 (1) ◽

pp. 1-15 ◽

Cited By ~ 133

Author(s):

D MEI ◽

P SHETH ◽

M NEUROCK ◽

C SMITH

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Selective Hydrogenation ◽

First Principles ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulation ◽

Selective Hydrogenation Of Acetylene

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Error propagation in first-principles kinetic Monte Carlo simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2017.02.043 ◽

2017 ◽

Vol 674 ◽

pp. 28-32 ◽

Cited By ~ 11

Author(s):

Sandra Döpking ◽

Sebastian Matera

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

First Principles ◽

Error Propagation ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulation

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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

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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

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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

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Kinetic Monte Carlo simulation of site-controlled GaAs/AlGaAs QDs growth on structured substrate

2011 International Conference on Information Photonics and Optical Communications ◽

10.1109/ipoc.2011.6122850 ◽

2011 ◽

Author(s):

Feng Hao ◽

Yu Zhongyuan ◽

Liu Yumin

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Kinetic Monte Carlo ◽

Kinetic Monte Carlo Simulation

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