The Problem with Determining Atomic Structure at the Nanoscale
|
journal
|
April 2007 |
Operando Insights into Nanoparticle Transformations during Catalysis
|
journal
|
August 2019 |
Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites
|
journal
|
November 2020 |
Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride under Conditions of Oxidative Dehydrogenation of Propane
|
journal
|
December 2018 |
Why Boron Nitride is such a Selective Catalyst for the Oxidative Dehydrogenation of Propane
|
journal
|
July 2020 |
Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces
|
journal
|
January 2020 |
Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization
|
journal
|
November 2016 |
Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt 7 on Al 2 O 3
|
journal
|
March 2018 |
Pt 8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization
|
journal
|
November 2019 |
Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics
|
journal
|
January 2020 |
Oxidation Dynamics of Supported Catalytic Cu Clusters: Coupling to Fluxionality
|
journal
|
December 2021 |
Surface‐supported cluster catalysis: Ensembles of metastable states run the show
|
journal
|
May 2019 |
Fluxionality of Catalytic Clusters: When It Matters and How to Address It
|
journal
|
February 2017 |
Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis
|
journal
|
January 2019 |
Ethylene Dehydrogenation on Pt 4,7,8 Clusters on Al 2 O 3 : Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies
|
journal
|
April 2017 |
Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al 2 O 3
|
journal
|
August 2017 |
Nanoalloying MgO-Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation
|
journal
|
July 2018 |
Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches
|
journal
|
October 2019 |
In Situ / Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy
|
journal
|
September 2020 |
Dynamic Behavior of Single-Atom Catalysts in Electrocatalysis: Identification of Cu-N 3 as an Active Site for the Oxygen Reduction Reaction
|
journal
|
August 2021 |
Operando XAS/SAXS: Guiding Design of Single‐Atom and Subnanocluster Catalysts
|
journal
|
February 2021 |
A Perspective on Counting Catalytic Active Sites and Rates of Reaction Using X-Ray Spectroscopy
|
journal
|
October 2018 |
Applications of Modulation Excitation Spectroscopy in Heterogeneous Catalysis
|
journal
|
January 2017 |
Investigation of periodically driven systems by x-ray absorption spectroscopy using asynchronous data collection mode
|
journal
|
April 2018 |
Stroboscopic operando spectroscopy of the dynamics in heterogeneous catalysis by event-averaging
|
journal
|
October 2021 |
Structural and Valence State Modification of Cobalt in CoPt Nanocatalysts in Redox Conditions
|
journal
|
November 2021 |
Dynamical Change of Valence States and Structure in NiCu 3 Nanoparticles during Redox Cycling
|
journal
|
January 2022 |
Alloying with Sn Suppresses Sintering of Size-Selected Subnano Pt Clusters on SiO 2 with and without Adsorbates
|
journal
|
September 2020 |
Toward the Balance between the Reductionist and Systems Approaches in Computational Catalysis: Model versus Method Accuracy for the Description of Catalytic Systems
|
journal
|
May 2017 |
Dynamic Surface Reconstruction of Single-Atom Bimetallic Alloy under Operando Electrochemical Conditions
|
journal
|
October 2020 |
The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis
|
journal
|
October 2019 |
Coordination structure at work: Atomically dispersed heterogeneous catalysts
|
journal
|
June 2022 |
Inherent Size Effects on XANES of Nanometer Metal Clusters: Size-Selected Platinum Clusters on Silica
|
journal
|
December 2016 |
Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight
|
journal
|
April 2020 |
Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation
|
journal
|
April 2020 |
Interpreting the Operando X-ray Absorption Near-Edge Structure of Supported Cu and CuPd Clusters in Conditions of Oxidative Dehydrogenation of Propane: Dynamic Changes in Composition and Size
|
journal
|
January 2022 |
Self-consistency, spin-orbit and other advances in the FDMNES code to simulate XANES and RXD experiments
|
journal
|
November 2009 |
Dynamic structure in supported Pt nanoclusters: Real-time density functional theory and x-ray spectroscopy simulations
|
journal
|
September 2008 |
Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning
|
journal
|
October 2019 |
Subnanometer Substructures in Nanoassemblies Formed from Clusters under a Reactive Atmosphere Revealed Using Machine Learning
|
journal
|
August 2018 |
Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy
|
journal
|
May 2018 |
Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles
|
journal
|
October 2017 |
Ab initio theory and calculations of X-ray spectra
|
journal
|
July 2009 |
Efficient implementation of core-excitation Bethe–Salpeter equation calculations
|
journal
|
December 2015 |
Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations
|
journal
|
July 2020 |
Operando Effects on the Structure and Dynamics of Pt n Sn m /γ-Al 2 O 3 from Ab Initio Molecular Dynamics and X-ray Absorption Spectra
|
journal
|
June 2013 |
Bridging the Pressure Gap in CO Oxidation
|
journal
|
July 2021 |
On the relation between X-ray Photoelectron Spectroscopy and XAFS
|
journal
|
April 2013 |
Single Atom Catalysts: A Review of Characterization Methods
|
journal
|
June 2021 |
Surface science under reaction conditions: CO oxidation on Pt and Pd model catalysts
|
journal
|
January 2017 |
Calculation of core level shifts within DFT using pseudopotentials and localized basis sets
|
journal
|
July 2012 |
Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis
|
journal
|
September 2018 |
Atomistic-Level Description of GaN/Water Interface by a Combined Spectroscopic and First-Principles Computational Approach
|
journal
|
May 2020 |
CO 2 Hydrogenation to Formate and Formic Acid by Bimetallic Palladium–Copper Hydride Clusters
|
journal
|
April 2020 |
Structure and Dynamics of Reactant Coadsorption on Single Crystal Model Catalysts by HP-STM and AP-XPS: A Mini Review
|
journal
|
January 2016 |
Real-time imaging of adatom-promoted graphene growth on nickel
|
journal
|
March 2018 |
Atomic level fluxional behavior and activity of CeO2-supported Pt catalysts for CO oxidation
|
journal
|
October 2021 |
Dynamic structure of active sites in ceria-supported Pt catalysts for the water gas shift reaction
|
journal
|
February 2021 |
Structural changes in noble metal nanoparticles during CO oxidation and their impact on catalyst activity
|
journal
|
May 2020 |
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling
|
journal
|
March 2020 |
Global Activity Search Uncovers Reaction Induced Concomitant Catalyst Restructuring for Alkane Dissociation on Model Pt Catalysts
|
journal
|
January 2021 |
Revealing the structure of a catalytic combustion active-site ensemble combining uniform nanocrystal catalysts and theory insights
|
journal
|
June 2020 |
Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria
|
journal
|
April 2017 |
Time Scale and Elementary Steps of CO-Induced Disintegration of Surface Rhodium Clusters
|
journal
|
October 2003 |
The dynamics of overlayer formation on catalyst nanoparticles and strong metal-support interaction
|
journal
|
June 2020 |