Lista de obras - Philippe Sautet - Dominio Público Uruguay

A Force Field for Water over Pt(111): Development, Assessment and Comparison

artículo científico publicado en 2018

A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers.

artículo científico publicado en 2017

Achieving High Selectivity for Alkyne Hydrogenation at High Conversions with Compositionally Optimized PdAu Nanoparticle Catalysts in Raspberry Colloid-Templated SiO 2

Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can.

artículo científico publicado en 2018

Atomically Dispersed Pt1-Polyoxometalate Catalysts: How Does Metal-Support Interaction Affect Stability and Hydrogenation Activity?

artículo científico publicado en 2019

C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex

scholarly article by Ka Wing Chan et al published 15 August 2018 in Journal of the American Chemical Society

Correction to “Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys”

DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd(ii)/Al-MCM-41

artículo científico publicado en 2018

Diffusion Barriers for Carbon Monoxide on the Cu(001) Surface Using Many-Body Perturbation Theory and Various Density Functionals

artículo científico publicado en 2021

Direct Amination of Alcohols Catalyzed by Aluminum Triflate: An Experimental and Computational Study

artículo científico publicado en 2018

Dual redox mediators accelerate the electrochemical kinetics of lithium-sulfur batteries

scientific article published on 15 October 2020

Effect of Frustrated Rotations on the Pre-Exponential Factor for Unimolecular Reactions on Surfaces: A Case Study of Alkoxy Dehydrogenation

artículo científico publicado en 2019

Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts

Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts

scientific article published in 2022

Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface

scientific article published on 02 September 2020

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

scientific article published on 02 October 2020

Insights into Copper Sulfide Formation from Cu and S K edge XAS and DFT studies

scientific article published on 01 October 2020

Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity

artículo científico publicado en 2018

Oxidation of Methane to Methanol over Single Site Palladium Oxide Species on Silica: A Mechanistic view from DFT.

artículo científico publicado en 2017

Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

artículo científico publicado en 2019

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

scientific article published on 17 July 2019

Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling

scientific article published on 06 April 2020

Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site

artículo científico publicado en 2019

Shining Light on Carbon Nitrides: Leveraging Temperature To Understand Optical Gap Variations

Theory and experiments join forces to characterize the electrocatalytic interface

scientific article published on 28 March 2019

Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks

scientific article published on 11 September 2019

Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys

Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111)

scientific article published on 26 March 2019

Lista de obras de Philippe Sautet

A Force Field for Water over Pt(111): Development, Assessment and Comparison

A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers.

Achieving High Selectivity for Alkyne Hydrogenation at High Conversions with Compositionally Optimized PdAu Nanoparticle Catalysts in Raspberry Colloid-Templated SiO 2

Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can.

Atomically Dispersed Pt1-Polyoxometalate Catalysts: How Does Metal-Support Interaction Affect Stability and Hydrogenation Activity?

C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex

Correction to “Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys”

DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd(ii)/Al-MCM-41

Diffusion Barriers for Carbon Monoxide on the Cu(001) Surface Using Many-Body Perturbation Theory and Various Density Functionals

Direct Amination of Alcohols Catalyzed by Aluminum Triflate: An Experimental and Computational Study

Dual redox mediators accelerate the electrochemical kinetics of lithium-sulfur batteries

Effect of Frustrated Rotations on the Pre-Exponential Factor for Unimolecular Reactions on Surfaces: A Case Study of Alkoxy Dehydrogenation

Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts

Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts

Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

Insights into Copper Sulfide Formation from Cu and S K edge XAS and DFT studies

Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity

Oxidation of Methane to Methanol over Single Site Palladium Oxide Species on Silica: A Mechanistic view from DFT.

Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling

Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site

Shining Light on Carbon Nitrides: Leveraging Temperature To Understand Optical Gap Variations

Theory and experiments join forces to characterize the electrocatalytic interface

Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks

Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys

Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111)