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RESEARCH PAPER · Angewandte Chemie International Edition · 2018

Reconstruction of Supported Metal Nanoparticles in Reaction Conditions

Man-Yi Duan, Jian Fang Yu, Jun Meng, Beien Zhu, Yong Wang, Yi Gao

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Reconstruction of Supported Metal Nanoparticles in Reaction ConditionsOriginalCatalytic Activity and Stability over Nanorod-Like Ordered Mesoporous Phosphorus-Doped Alumina Supported Palladium Catalysts for Methane Combustion100Defect and Interface Engineering for Aqueous Electrocatalytic CO2 Reduction676Direct In Situ TEM Visualization and Insight into the Facet‐Dependent Sintering Behaviors of Gold on TiO 2147Direct In Situ TEM Visualization and Insight into the Facet‐Dependent Sintering Behaviors of Gold on TiO232Interfacial water and catalysis1Morphology evolution of fcc Ru nanoparticles under hydrogen atmosphere22Multiscale atomistic simulation of metal nanoparticles under working conditions10Silver/Copper Interface for Relay Electroreduction of Carbon Dioxide to Ethylene102Reshaping Dynamics of Gold Nanoparticles under H2 and O2 at Atmospheric Pressure38Visualizing Formation of Intermetallic PdZn in a Palladium/Zinc Oxide Catalyst: Interfacial Fertilization by PdH x95Visualizing Formation of Intermetallic PdZn in a Palladium/Zinc Oxide Catalyst: Interfacial Fertilization by PdH x9Multiscale simulation on thermal stability of supported metal nanocatalysts11Operando computational catalysis: shape, structure, and coverage under reaction conditions24Multiscale Simulation of Morphology Evolution of Supported Pt Nanoparticles via Interfacial Control12The structure–activity relationship of Fe nanoparticles in CO adsorption and dissociation by reactive molecular dynamics simulations28Nanoscopic Porous Iridium/Iridium Dioxide Superstructures (15 nm): Synthesis and Thermal Conversion by In Situ Transmission Electron Microscopy9Reshaping of Rh nanoparticles in operando conditions7Reshaping of Metal Nanoparticles Under Reaction Conditions82Umformung von Metallnanopartikeln unter Reaktionsbedingungen1Operando Insights into Nanoparticle Transformations during Catalysis185Capsule‐Structured Copper–Zinc Catalyst for Highly Efficient Hydrogenation of Carbon Dioxide to Methanol31Microstructural property regulation and performance in methane combustion reaction of ordered mesoporous alumina supported palladium-cobalt bimetallic catalysts53Control of metal-support interactions in heterogeneous catalysts to enhance activity and selectivity2346Theoretically predicted surface morphology of FCC cobalt nanoparticles induced by Ru promoter11Real‐Time Atomic‐Scale Visualization of Reversible Copper Surface Activation during the CO Oxidation Reaction37Real‐Time Atomic‐Scale Visualization of Reversible Copper Surface Activation during the CO Oxidation Reaction16Structure reconstruction of metal/alloy in reaction conditions: a volcano curve?5Visualizing H 2 O molecules reacting at TiO 2 active sites with transmission electron microscopy267Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces262In‐situ Transmission Electron Microscope Techniques for Heterogeneous Catalysis100Reversible and concerted atom diffusion on supported gold nanoparticles5Restructuring effects of the chemical environment in metal nanocatalysis and single-atom catalysis98Unveiling the gas-dependent sintering behavior of Au-TiO2 catalysts via environmental transmission electron microscopy30Selective Hydrogenation of Cinnamaldehyde over the Stepped and Plane Surface of Pd Nanoparticles with Controlled Morphologies by CO Chemisorption27First-principles-aided thermodynamic modeling of transition-metal heterogeneous catalysts: A review28Morphology-Dependent CO Reduction Kinetics and Surface Copper Species Evolution of Cu2O Nanocrystals27Confined Ru Nanocatalysts on Surface to Enhance Ammonia Synthesis: An In situ ETEM Study20Stability of Cobalt Particles In and Outside HZSM‐5 under CO Hydrogenation Conditions Studied by ex situ and in situ Electron Microscopy13Construction and evolution of active palladium species on phase-regulated reducible TiO 2 for methane combustion18Recent Progresses on Structural Reconstruction of Nanosized Metal Catalysts via Controlled-Atmosphere Transmission Electron Microscopy: A Review117Surface study of the reconstructed anatase TiO2 (001) surface68Niobia-Supported Metal Catalysts for Synthesis Gas Conversion1Controlling the Shapes of Nanoparticles by Dopant-Induced Enhancement of Chemisorption and Catalytic Activity: Application to Fe-Based Ammonia Synthesis16Structural evolution of MoS2 supported gold nanoclusters under CO oxidation condition and the effect on reaction activity12Neural Network Potential Simulations of Copper Supported on Zinc Oxide Surfaces0Single-Crystal Cobalt Phosphide Nanorods as a High-Performance Catalyst for Reductive Amination of Carbonyl Compounds66Structural Changes of Intermetallic Catalysts under Reaction Conditions30Tandem catalysis in electrochemical CO2 reduction reaction181Insights into structure of metal nanomaterials in reactive environments6Reversing sintering effect of Ni particles on γ-Mo2N via strong metal support interaction169In situ transmission electron microscopy and artificial intelligence enabled data analytics for energy materials91Hydrogen Adsorption/Desorption Isotherms on Supported Platinum Nanoparticles Determined by in‐situ XAS and ΔXANES Analysis17Identifying the morphology of Pt nanoparticles for the optimal catalytic activity towards CO oxidation9Manipulating Electrocatalytic Activity of Perovskite Oxide Through Electrochemical Treatment19Advances in the Catalytic Reductive Amination of Furfural to Furfural Amine: The Momentous Role of Active Metal Sites62A Review of State of the Art in Phosphine Ligated Gold Clusters and Application in Catalysis130Anodic Shock-Triggered Exsolution of Metal Nanoparticles from Perovskite Oxide47Sub-Nano Pt/β-FeOOH Quantum Dots for Photocatalytic Removal of Toluene: Catalyst Design, Preparation, and Benefits7Unveiling the Au Surface Reconstruction in a CO Environment by Surface Dynamics and Ab Initio Thermodynamics12Promoting n -Butane Dehydrogenation over PtMn/SiO 2 through Structural Evolution Induced by a Reverse Water-Gas Shift Reaction29Improving the DFT computational accuracy for CO activation on Fe surfaces by Bayesian error estimation functional with van der Waals correlation2Single Metal Atoms Embedded in the Surface of Pt Nanocatalysts: The Effect of Temperature and Hydrogen Pressure5Identifying magic-number structures of supported sub-nano Ni clusters and the influence of hydrogen coverage: a density functional theory based particle swarm optimization investigation8Rapidly tuning the electrocatalytic activity of perovskite oxides by plasma treatment5Toward In Situ Atomistic Design of Catalytic Active Sites via Controlled Atmosphere Transmission Electron Microscopy30Recent advances in in-situ transmission electron microscopy techniques for heterogeneous catalysis54Defect‐Mediated Growth of Crystallographic Shear Plane7Spatial self-confinement of heterogeneous metallic CoX (X = Cu, Ni, Fe) within laminated porous carbon assemblies to efficiently activate peroxymonosulfate for tetracycline destruction12Selective Hydrogenation of Croton Aldehyde on Pt Nanoparticles Controlled by Tailoring Fraction of Well-Ordered Facets Under Different Pretreatment Conditions5Strong Metal–Support Interaction Facilitated Multicomponent Alloy Formation on Metal Oxide Support53The Role of In Situ / Operando IR Spectroscopy in Unraveling Adsorbate-Induced Structural Changes in Heterogeneous Catalysis139Modelling of metal nanoparticles’ structures and dynamics under reaction conditions11Controlled Growth of Pd Nanocrystals by Interface Interaction on Monolayer MoS2: An Atom-Resolved in Situ Study23Revealing the Surface Structure and Morphology Evolution of Con Clusters Supported on Zro2 Surfaces0Composition-Dependent Alloy Nanoparticle Shape Changes under Reaction Conditions: Kinetic and Thermodynamic Effects4Coverage- and Facet-Dependent Multiscale Modeling of O* and H* Adsorption on Pt Catalytic Nanoparticles15Advances and Opportunities in Closed Gas-Cell Transmission Electron Microscopy23Dynamic Active Sites In Situ Formed in Metal Nanoparticle Reshaping under Reaction Conditions34Unveiling Reversible Evolution of Single-Atom Catalysts Driven by Reverse Oxygen Spillover of CeO 232Constructing Gradient Orbital Coupling to Induce Reactive Metal–Support Interaction in Pt-Carbide Electrocatalysts for Efficient Methanol Oxidation87Simulating Structural Dynamics of Metal Catalysts under Operative Conditions13XAFS method for the structural characterization of single atom catalysts28MOSP: A user-interface package for simulating metal nanoparticle’s structure and reactivity under operando conditions3Real-Time Simulation of the Reaction Kinetics of Supported Metal Nanoparticles2Strong Metal‐Support Interactions in Heterogeneous Oxygen Electrocatalysis27Synthesis strategies of supported bimetallic catalysts for hydrogenation reactions: review and outlook10Adjustment of Molecular Sorption Equilibrium on Catalyst Surface for Boosting Catalysis22Extracting value from transients observed during measurement of steady-state kinetics6Selectively monitoring the operando temperature of active metal nanoparticles during catalytic reactions by X-ray absorption nanothermometry43Operando TEM Probes Dynamic Evolution of Transition Metal‐Based Catalysts and Their Heterostructures11Accelerating Nitrate Electroreduction to Ammonia via Metal–Support Interactions in Ni-WS 2 Catalysts58Theoretical advances of simulating the dynamic structures of metal nanocatalysts under reaction conditions0Low‐temperature hydrodeoxygenation of fatty acids to biodiesel via Ru–Mo strong metal‐support interaction7Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic5Toward Rational Electrocatalyst Design: Dynamic Insights from Liquid Environmental Transmission Electron Microscopy1Atomistic Landscape of Pt Nanoparticles via Machine Learning: How Size Effect and Hydrogen Adsorption Govern Structural Ensembles and Catalytic Activity4Correlating the in-situ morphology of copper nanoparticles with reaction activity in water-gas shift reaction0Breakdown of the Structure–Function Relationship on a Polycrystalline Pd Catalyst Surface Illustrated by Dynamic CO Oxidation1Bias‐Free Photoelectrochemical Co‐Production of Active Chlorine and Hydrogen Peroxide From Seawater on a Pt‐WO 3 Interface0TiO2-facet-dependent reconstruction of Pt nanoparticles during CO oxidation0Generative AI for atomistic nanomaterial reconstruction: from static structures to conditioned ensembles0The Cu(210)/ZnO Interface: The Operando Active Sites for Industrial Water-Gas Shift Catalysis0

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  1. Catalytic Activity and Stability over Nanorod-Like Ordered Mesoporous Phosphorus-Doped Alumina Supported Palladium Catalysts for Methane Combustion

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  2. Defect and Interface Engineering for Aqueous Electrocatalytic CO2 Reduction

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  3. Direct In Situ TEM Visualization and Insight into the Facet‐Dependent Sintering Behaviors of Gold on TiO 2

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  4. Direct In Situ TEM Visualization and Insight into the Facet‐Dependent Sintering Behaviors of Gold on TiO2

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  5. Interfacial water and catalysis

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  6. Morphology evolution of fcc Ru nanoparticles under hydrogen atmosphere

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  8. Silver/Copper Interface for Relay Electroreduction of Carbon Dioxide to Ethylene

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  16. Nanoscopic Porous Iridium/Iridium Dioxide Superstructures (15 nm): Synthesis and Thermal Conversion by In Situ Transmission Electron Microscopy

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  36. Morphology-Dependent CO Reduction Kinetics and Surface Copper Species Evolution of Cu2O Nanocrystals

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  50. Reversing sintering effect of Ni particles on γ-Mo2N via strong metal support interaction

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