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Physical Chemistry Chemical Physics : PCCP
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October 19, 2010
Reconstruction and stability of β-cristobalite 001, 101, and 111 surfaces during dehydroxylation
Xavier Rozanska, Françoise Delbecq, Philippe Sautet
Angewandte Chemie (International Ed. in English)
|
November 22, 2012
Vanadium distribution in four-component Mo-V-Te-Nb mixed-oxide catalysts from first principles: how to explore the numerous configurations?
Gang Fu, Xin Xu, Philippe Sautet
Journal of the American Chemical Society
|
March 20, 2025
Elucidating the Proton Source for CO<sub>2</sub> Electro-Reduction on Cu(100) Using Many-Body Perturbation Theory
Dongfang Cheng, Ziyang Wei, Philippe Sautet
The Journal of Chemical Physics
|
November 24, 2019
Pt<sub>8</sub> cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization
Geng Sun, Anastassia N Alexandrova, Philippe Sautet
The Journal of Physical Chemistry Letters
|
April 2, 2020
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling
Han Guo, Philippe Sautet, Anastassia N Alexandrova
Chemical Society Reviews
|
May 21, 2025
A tutorial on the modeling of the heterogenous captured CO<sub>2</sub> electroreduction reaction and first principles electrochemical modeling
Robert Michael Kowalski, Dongfang Cheng, Philippe Sautet
Physical Chemistry Chemical Physics : PCCP
|
November 15, 2016
Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models
Stephan N Steinmann, Philippe Sautet, Carine Michel
The Journal of Physical Chemistry Letters
|
November 17, 2025
Temperature-Dependent Adsorbate-Induced Surface Roughening Onset in Electrochemical CO<sub>2</sub> Reduction on Copper
Yu Wei, Philippe Sautet, Anastassia N Alexandrova
Angewandte Chemie (International Ed. in English)
|
June 3, 2026
Modeling CO<sub>2</sub> Hydrogenation to Methanol on an Ensemble of Inverse ZrO<sub>2</sub> on Cu Catalytic Sites: Mechanism, Reactivity, and Deactivation
Zihan Yang, Anastassia N Alexandrova, Philippe Sautet
The Journal of Physical Chemistry Letters
|
January 23, 2024
H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte
Dongfang Cheng, Anastassia N Alexandrova, Philippe Sautet
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Search research articles
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Showing results (21-30 of 158) with videos related to
Sort By:
Page
of 16
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2010
Reconstruction and stability of β-cristobalite 001, 101, and 111 surfaces during dehydroxylation
Xavier Rozanska, Françoise Delbecq, Philippe Sautet
Angewandte Chemie (International Ed. in English)
|
November 22, 2012
Vanadium distribution in four-component Mo-V-Te-Nb mixed-oxide catalysts from first principles: how to explore the numerous configurations?
Gang Fu, Xin Xu, Philippe Sautet
Journal of the American Chemical Society
|
March 20, 2025
Elucidating the Proton Source for CO<sub>2</sub> Electro-Reduction on Cu(100) Using Many-Body Perturbation Theory
Dongfang Cheng, Ziyang Wei, Philippe Sautet
The Journal of Chemical Physics
|
November 24, 2019
Pt<sub>8</sub> cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization
Geng Sun, Anastassia N Alexandrova, Philippe Sautet
The Journal of Physical Chemistry Letters
|
April 2, 2020
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling
Han Guo, Philippe Sautet, Anastassia N Alexandrova
Chemical Society Reviews
|
May 21, 2025
A tutorial on the modeling of the heterogenous captured CO<sub>2</sub> electroreduction reaction and first principles electrochemical modeling
Robert Michael Kowalski, Dongfang Cheng, Philippe Sautet
Physical Chemistry Chemical Physics : PCCP
|
November 15, 2016
Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models
Stephan N Steinmann, Philippe Sautet, Carine Michel
The Journal of Physical Chemistry Letters
|
November 17, 2025
Temperature-Dependent Adsorbate-Induced Surface Roughening Onset in Electrochemical CO<sub>2</sub> Reduction on Copper
Yu Wei, Philippe Sautet, Anastassia N Alexandrova
Angewandte Chemie (International Ed. in English)
|
June 3, 2026
Modeling CO<sub>2</sub> Hydrogenation to Methanol on an Ensemble of Inverse ZrO<sub>2</sub> on Cu Catalytic Sites: Mechanism, Reactivity, and Deactivation
Zihan Yang, Anastassia N Alexandrova, Philippe Sautet
The Journal of Physical Chemistry Letters
|
January 23, 2024
H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte
Dongfang Cheng, Anastassia N Alexandrova, Philippe Sautet
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of 16