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Physical Chemistry Chemical Physics : PCCP
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January 30, 2020
A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface
Arunabhiram Chutia, Adam Thetford, Michail Stamatakis, et al.
Journal of the American Chemical Society
|
October 2, 2024
Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys
Fabian Berger, Julia Schumann, Romain Réocreux, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
May 17, 2023
Assessing the Impact of Adlayer Description Fidelity on Theoretical Predictions of Coking on Ni(111) at Steam Reforming Conditions
Sai Sharath Yadavalli, Glenn Jones, Raz L Benson, et al.
Nano Letters
|
June 7, 2012
Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation
Michail Stamatakis, Matthew A Christiansen, Dionisios G Vlachos, et al.
The Journal of Physical Chemistry. A
|
August 14, 2020
A Caching Scheme To Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions
Srikanth Ravipati, Mayeul d'Avezac, Jens Nielsen, et al.
Crystal Growth & Design
|
June 12, 2023
Stochastic Cellular Automata Modeling of CO<sub>2</sub> Hydrate Growth and Morphology
Miguel Pineda, Anh Phan, Carolyn Ann Koh, et al.
Topics in Catalysis
|
July 2, 2019
Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys
Matthew T Darby, E Charles H Sykes, Angelos Michaelides, et al.
The Journal of Physical Chemistry Letters
|
April 1, 2022
Quantum Tunnelling Driven H<sub>2</sub> Formation on Graphene
Erxun Han, Wei Fang, Michail Stamatakis, et al.
The Journal of Physical Chemistry Letters
|
September 7, 2018
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys
Matthew T Darby, Michail Stamatakis, Angelos Michaelides, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium- and large-scale benchmarks
Giannis D Savva, Raz L Benson, Ilektra-Athanasia Christidi, et al.
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of 7
Search research articles
Search
Showing results (31-40 of 65) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
January 30, 2020
A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface
Arunabhiram Chutia, Adam Thetford, Michail Stamatakis, et al.
Journal of the American Chemical Society
|
October 2, 2024
Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys
Fabian Berger, Julia Schumann, Romain Réocreux, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
May 17, 2023
Assessing the Impact of Adlayer Description Fidelity on Theoretical Predictions of Coking on Ni(111) at Steam Reforming Conditions
Sai Sharath Yadavalli, Glenn Jones, Raz L Benson, et al.
Nano Letters
|
June 7, 2012
Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation
Michail Stamatakis, Matthew A Christiansen, Dionisios G Vlachos, et al.
The Journal of Physical Chemistry. A
|
August 14, 2020
A Caching Scheme To Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions
Srikanth Ravipati, Mayeul d'Avezac, Jens Nielsen, et al.
Crystal Growth & Design
|
June 12, 2023
Stochastic Cellular Automata Modeling of CO<sub>2</sub> Hydrate Growth and Morphology
Miguel Pineda, Anh Phan, Carolyn Ann Koh, et al.
Topics in Catalysis
|
July 2, 2019
Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys
Matthew T Darby, E Charles H Sykes, Angelos Michaelides, et al.
The Journal of Physical Chemistry Letters
|
April 1, 2022
Quantum Tunnelling Driven H<sub>2</sub> Formation on Graphene
Erxun Han, Wei Fang, Michail Stamatakis, et al.
The Journal of Physical Chemistry Letters
|
September 7, 2018
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys
Matthew T Darby, Michail Stamatakis, Angelos Michaelides, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Exact distributed kinetic Monte Carlo simulations for on-lattice chemical kinetics: lessons learnt from medium- and large-scale benchmarks
Giannis D Savva, Raz L Benson, Ilektra-Athanasia Christidi, et al.
Page
of 7