List of works - Philippe Sautet

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

scientific article published on 16 April 2018

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

scientific article published in August 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.

scientific article published on 2 February 2018

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

scientific article published on 07 May 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

scientific article published on 01 October 2018

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

scientific article published on 23 November 2021

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

scientific article published on 22 August 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

scientific article published in 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

scientific article published on 9 February 2018

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

scientific article published on 5 July 2017

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

scientific article published on 01 November 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

scientific article published on 03 October 2019

Selective Reduction of Nitroarenes via Noncontact Hydrogenation

scientific article published on 22 October 2024

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

List of works by Philippe Sautet