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RESEARCH PAPER · Journal of Physics Condensed Matter · 2016

Nanoparticle shape, thermodynamics and kinetics

Laurence D. Marks, L Peng

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Nanoparticle shape, thermodynamics and kineticsOriginalBibliography0Complex surface structure of (110) terminated strontium titanate nanododecahedra19Geometric structures and chemical ordering in nanoalloys13Multi-scale theory and simulation of shape-selective nanocrystal growth38Nonequilibrium phenomena in nanoalloys3Relative edge energy in the stability of transition metal nanoclusters of different motifs5The effect of surface capping on the diffusion of adatoms in the synthesis of Pd@Au core–shell nanocrystals19Theoretical and computational methods for nanoalloy structure and thermodynamics7SERS and integrative imaging upon internalization of quantum dots into human oral epithelial cells15Bimetallic Nanocrystals: Syntheses, Properties, and Applications1662Compositional Inhomogeneity and Corner Enrichment of Pt in Pt/Pd Bimetallic Nanoparticles7Anisotropic gold nanoparticles: Preparation and applications in catalysis147Structure of Nanocrystals, Nanoparticles, and Nanotubes2Single-particle mapping of nonequilibrium nanocrystal transformations259Keimvermitteltes Wachstum kolloidaler Metallnanokristalle67Seed‐Mediated Growth of Colloidal Metal Nanocrystals800Synthesis of Ag-Cu and Ag-Cu 2 O alloy nanoparticles using a seed-mediated polyol process, thermodynamic and kinetic aspects15In situ chemoresistive sensing in the environmental TEM: probing functional devices and their nanoscale morphology22Prediction of Co nanoparticle morphologies stabilized by ligands: towards a kinetic model5Shape, Thermodynamics, Kinetics and Growth Mechanisms of Metal and Bimetallic Nanoparticles0Symmetry breaking during nanocrystal growth98Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra51Thermal stability and optical properties of Si–Ge nanoparticles26Oxidative Etching of Pd Decahedral Nanocrystals with a Penta-twinned Structure and Its Impact on Their Growth Behavior27Synthesis of hybrid nanosheets of graphene oxide, titania and gold and palladium nanoparticles for catalytic applications0Growth Regimes of Hydrothermally Synthesized Potassium Tantalate Nanoparticles0Direct Observation of “Pac-Man” Coarsening4Voltammetric Behavior of Zinc Hexacyanoferrate (III) Nanoparticles and Their Application in the Detection of N-Acetylcysteine16Icosahedral nanocrystals of noble metals: Synthesis and applications116Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size103In Situ Atomic-Scale Studies of the Formation of Epitaxial Pt Nanocrystals on Monolayer Molybdenum Disulfide32Use of Chemical Functionalities to Control Stability of Nanoparticles28Mass Transport in Nanoalloys Studied by Atomistic Models3Robust and Pristine Topological Dirac Semimetal Phase in Pressured Two-Dimensional Black Phosphorus18Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pt-M (M = Al, Co, Cu, Mo, Ni, Ti, V) binary systems53Radiation Damage Mechanisms of Monolayer-Protected Nanoparticles via TEM Analysis31Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences20Structure Sensitivity of Acrolein Hydrogenation by Platinum Nanoparticles on BaxSr1−xTiO3 Nanocuboids9Generation of circular prismatic dislocation loops in decahedral small particles14Stable MoSi 2 nanofilms with controllable and high metallicity7Fracture of hollow multiply-twinned particles under chemical etching12Experimental and theoretical studies of the atomic structure of platinum-based nanoclusters0Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution15Aluminum Nanorods85Nanoparticles as Therapeutic Agents for Patients With Brain Tumors4State Equation of a Nanocrystal with Vacancies15The physical chemistry and materials science behind sinter-resistant catalysts497Novel behaviors/properties of nanometals induced by surface effects31Nanoscale kinetics of asymmetrical corrosion in core-shell nanoparticles110Surface Activation of Transition Metal Nanoparticles for Heterogeneous Catalysis: What We Can Learn from Molecular Dynamics77Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction86Copper Pentagonal Micropyramids Grown by Mechanically Activated Electrodeposition1Morphology and CO Oxidation Activity of Pd Nanoparticles on SrTiO3 Nanopolyhedra44Theoretical Perspectives on the Influence of Solution-Phase Additives in Shape-Controlled Nanocrystal Synthesis24The phase coexistence method to obtain surface free energies and nucleation barriers: a brief review10Molecular dynamics simulation of the size-dependent morphological stability of cubic shape silver nanoparticles36Tailoring Morphology of Cu–Ag Nanocrescents and Core–Shell Nanocrystals Guided by a Thermodynamic Model68Kinetic Growth Regimes of Hydrothermally Synthesized Potassium Tantalate Nanoparticles15Influence of atomic site-specific strain on catalytic activity of supported nanoparticles168Size and Shape Controlled Synthesis of Pd Nanocrystals3Unraveling Kinetically-Driven Mechanisms of Gold Nanocrystal Shape Transformations Using Graphene Liquid Cell Electron Microscopy83Non-equilibrium anisotropic colloidal single crystal growth with DNA53Synthesis, Mass Spectrometry, and Atomic Structural Analysis of Au∼2000(SR)∼290 Nanoparticles25Observable Two-Step Nucleation Mechanism in Solid-State Formation of Tungsten Carbide47High-performance stretchable conductive nanocomposites: materials, processes, and device applications591Inverse Wulff construction for surface energies of coexisting and missing surfaces of crystal particles21Synthesis of silver nanotriangles with tunable edge length: a promising candidate for light harvesting purposes within visible and near–infrared ranges25Surface versus solution chemistry: manipulating nanoparticle shape and composition through metal–thiolate interactions14Structural properties of sub-nanometer metallic clusters64Advances in thermodynamic modelling of nanoparticles63Controllable synthesis of 3D Fe 3 O 4 micro-cubes as anode materials for lithium ion batteries10Intrinsic strain-induced segregation in multiply twinned Cu–Pt icosahedra12Magnetism in bimetallic Pt x Ni N−x clusters via cross-atomic coupling1Squeezed nanocrystals: equilibrium configuration of metal clusters embedded beneath the surface of a layered material15Surface energies of non-centrosymmetric nanocrystals by the inverse Wulff construction method20Strain Relaxation-Induced Twin Interface Migration and Morphology Evolution of Silver Nanoparticles33The Importance of Salt-Enhanced Electrostatic Repulsion in Colloidal Crystal Engineering with DNA42Competition Between Kinetics and Thermodynamics During the Growth of Faceted Crystal by Phase Field Modeling33Citrate-capped iron oxide nanoparticles: ultrasound-assisted synthesis, structure and thermal properties15New Insights on the Role of Chloride During the Onset of Local Corrosion: TEM, APT, Surface Energy, and Morphological Instability23Anisotropic Growth of Silver Nanoparticles Is Kinetically Controlled by Polyvinylpyrrolidone Binding113Macrophage-Assisted Dissolution of Gold Nanoparticles45Revisiting the Polyol Synthesis of Silver Nanostructures: Role of Chloride in Nanocube Formation1282D & 3D in situ study of the calcination of Pd nanocatalysts supported on delta-Alumina in an Environmental Transmission Electron Microscope19Reshaping and sintering of 3D fcc metal nanoclusters: Stochastic atomistic modeling with realistic surface diffusion kinetics20Receiving Copper Nanoparticles: Experiment and Modelling6Tips and Tricks for the Surface Engineering of Well‐Ordered Morphologically Driven Silver‐Based Nanomaterials12pH Driven self-assembly of aza-BODIPY J-aggregates5Circular loops of misfit dislocations in decahedral core-shell nanoparticles19Formation and morphology evolution of icosahedral and decahedral silver crystallites from vapor deposition in view of symmetry misfit6Understanding nanoscale effects in oxide/metal heteroepitaxy6Pentagonal Cobalt Boride Nanoparticles on the Polystyrene Granule Surface0Reshaping, Intermixing, and Coarsening for Metallic Nanocrystals: Nonequilibrium Statistical Mechanical and Coarse-Grained Modeling91Influence of Nanocrystalline Palladium Morphology on Alkaline Oxygen Reduction Kinetics4Microwave-Assisted Synthesis of Ultrasmall Zinc Oxide Nanoparticles48Meniscus-Guided Control of Supersaturation for the Crystallization of High Quality Metal Organic Framework Thin Films42Thermodynamics of low-index surfaces and particle shapes of Y(OH)3 under typical hydrothermal conditions1Gold nanomaterials as key suppliers in biological and chemical sensing, catalysis, and medicine134Growth and Coalescence of 3C-SiC on Si(111) Micro-Pillars by a Phase-Field Approach10Upcycling Single-Use Polyethylene into High-Quality Liquid Products561Understanding Electrochemical Stabilities of Ni-Based Nanofilms from a Comparative Theory–Experiment Approach17Au130−xAgx Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites39Au130−xAgx Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites14Defect‐Directed Growth of Symmetrically Branched Metal Nanocrystals37Defect‐Directed Growth of Symmetrically Branched Metal Nanocrystals4Oriented attachment induces fivefold twins by forming and decomposing high-energy grain boundaries247An unexpected surfactant role of immiscible nitrogen in the structural development of silver nanoparticles: an experimental and numerical investigation36BCN-M: A Free Computational Tool for Generating Wulff-like Nanoparticle Models with Controlled Stoichiometry17Cluster-mining: an approach for determining core structures of metallic nanoparticles from atomic pair distribution function data50Modus Operandi of Simultaneous Covering Synthesis from Precursor Heterogeneity for Shelled Nanorods for Multipotent Cancer Theranostics9Atomic-scale structure and chemical sensing application of ultrasmall size-selected Pt nanoparticles supported on SnO 214Gold Nanoclusters, Gold Nanoparticles, and Analytical Techniques for Their Characterization7Nanoalloys for Energy Applications5Nonclassical Crystallization Observed by Liquid-Phase Transmission Electron Microscopy5Tuning the stability of electrochemical interfaces by electron transfer reactions13WulffPack: A Python package for Wulff constructions125Atomically resolved Au52Cu72(SR)55 nanoalloy reveals Marks decahedron truncation and Penrose tiling surface63One-Pot Aqueous Synthesis of Icosahedral Au as Bifunctional Candidates for Enhanced Glucose Electrooxidation and Surface-Enhanced Raman Scattering16Structural Screening and Design of Platinum Nanosamples for Oxygen Reduction35A comparative atomic simulation study of the configurations in M-Al (M = Mg, Ni, and Fe) nanoalloys: influence of alloying ability, surface energy, atomic radius, and atomic arrangement9Optimization of synthesis for shape and size controlled silver nanoparticles using response surface methodology46Second-nearest-neighbor modified embedded-atom method interatomic potential for Cu-M (M = Co, Mo) binary systems16Single-crystal Winterbottom constructions of nanoparticle superlattices90Chemisorption-Driven Roughening of Hydrothermally Grown KTa1–xNbxO3 Nanoparticles2Structural changes in noble metal nanoparticles during CO oxidation and their impact on catalyst activity117Tuning the stability of electrochemical interfaces by electron transfer reactions28Modeling Morphology and Catalytic Activity of Nanoparticle Ensembles Under Reaction Conditions79Atomic Scale Mechanisms Underlying Thermal Reshaping of Anisotropic Gold Nanocrystals Revealed by in Situ Electron Microscopy19Second nearest-neighbor modified embedded-atom method interatomic potentials for the Co-M (M = Ti, V) binary systems23Machine learning to identify variables in thermodynamically small systems3Competition between thermodynamics, kinetics and growth mode in the early-stage oxidation of an equimolar CoCrFeNi alloy83Unexpected Kirkendall effect in twinned icosahedral nanocrystals driven by strain gradient29Surface termination and stoichiometry of LaAlO3(001) surface studied by HRTEM15Crystallographic anisotropy of nonequilibrium solute capture20ADP potential for the Au-Rh system and its application in element segregation of nanoparticles11Diffraction Line Profiles in the Rietveld Method61Effect of Nonincorporative Cations on the Size and Shape of Indium Oxide Nanocrystals19Experimental determination of the {111}/{001} surface energy ratio for Pd crystals20Effect of Mn and Ba Codoping on a Magnetic Spin Cycloid of Multiferroic Bismuth Ferrite Nanoparticles37Imaging how thermal capillary waves and anisotropic interfacial stiffness shape nanoparticle supracrystals30Experimental study on energy saving and friction reduction of Al2O3-WBM nanofluids in a high-speed Taylor-Couette flow system14Surface excess free energies and equilibrium Wulff shapes in variable chemical environments at finite temperatures20In Situ and Real-Time Nanoscale Monitoring of Ultra-Thin Metal Film Growth Using Optical and Electrical Diagnostic Tools37Atomic structure and grain shape evolution of nanodiamond during annealing in oxidizing atmosphere from neutron diffraction and MD simulations9Complex Fluorine Chemical Potential Effects on the Shape and Compositional Heterogeneity of KTa1–xNbxO3 Nanoparticles1Surface and morphology investigation of FeCrO3 material in ilmenite-, corundum- and lithium niobate- polymorphs15Modified Winterbottom Construction Including Boundaries13Plasmonics of Supported Nanoparticles Reveals Adhesion at the Nanoscale: Implications for Metals on Dielectrics6Perspective Future Development of Nanomaterials8Chemical Identity of Poly(N-vinylpyrrolidone) End Groups Impact Shape Evolution During the Synthesis of Ag Nanostructures42

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  1. Bibliography

    Frontiers of nanoscience · 2016-01-01

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  2. Complex surface structure of (110) terminated strontium titanate nanododecahedra

    Nanoscale · 2016-01-01

    Lawrence A. Crosby, Robert M. Kennedy, Bor-Rong Chen, Jianguo Wen, Kenneth Reinhard Poeppelmeier, Michael J. Bedzyk, Laurence D. Marks

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  3. Geometric structures and chemical ordering in nanoalloys

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  4. Multi-scale theory and simulation of shape-selective nanocrystal growth

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  5. Nonequilibrium phenomena in nanoalloys

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  6. Relative edge energy in the stability of transition metal nanoclusters of different motifs

    Nanoscale · 2016-01-01

    Xingju Zhao, Xinlian Xue, Zhengxiao Guo, Shunfang Li

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  7. The effect of surface capping on the diffusion of adatoms in the synthesis of Pd@Au core–shell nanocrystals

    Chemical Communications · 2016-01-01

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  8. Theoretical and computational methods for nanoalloy structure and thermodynamics

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  9. SERS and integrative imaging upon internalization of quantum dots into human oral epithelial cells

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    Elisa Cepeda‐Pérez, Tzarara López–Luke, Germán Plascencia‐Villa, Leonardo Perez‐Mayen, Andrea Ceja‐Fdez, Arturo Ponce, Juan Luis Vivero-Escoto, Elder De la Rosa

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  10. Bimetallic Nanocrystals: Syntheses, Properties, and Applications

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  11. Compositional Inhomogeneity and Corner Enrichment of Pt in Pt/Pd Bimetallic Nanoparticles

    The Journal of Physical Chemistry C · 2016-07-05

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  12. Anisotropic gold nanoparticles: Preparation and applications in catalysis

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  13. Structure of Nanocrystals, Nanoparticles, and Nanotubes

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  14. Single-particle mapping of nonequilibrium nanocrystal transformations

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  15. Keimvermitteltes Wachstum kolloidaler Metallnanokristalle

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  16. Seed‐Mediated Growth of Colloidal Metal Nanocrystals

    Angewandte Chemie International Edition · 2016-12-14

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  17. Synthesis of Ag-Cu and Ag-Cu 2 O alloy nanoparticles using a seed-mediated polyol process, thermodynamic and kinetic aspects

    Materials Chemistry and Physics · 2016-12-29

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  18. In situ chemoresistive sensing in the environmental TEM: probing functional devices and their nanoscale morphology

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  19. Prediction of Co nanoparticle morphologies stabilized by ligands: towards a kinetic model

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  20. Shape, Thermodynamics, Kinetics and Growth Mechanisms of Metal and Bimetallic Nanoparticles

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  21. Symmetry breaking during nanocrystal growth

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  22. Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra

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  23. Thermal stability and optical properties of Si–Ge nanoparticles

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  24. Oxidative Etching of Pd Decahedral Nanocrystals with a Penta-twinned Structure and Its Impact on Their Growth Behavior

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  25. Synthesis of hybrid nanosheets of graphene oxide, titania and gold and palladium nanoparticles for catalytic applications

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  26. Growth Regimes of Hydrothermally Synthesized Potassium Tantalate Nanoparticles

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  27. Direct Observation of “Pac-Man” Coarsening

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  28. Voltammetric Behavior of Zinc Hexacyanoferrate (III) Nanoparticles and Their Application in the Detection of N-Acetylcysteine

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  29. Icosahedral nanocrystals of noble metals: Synthesis and applications

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  30. Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size

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  31. In Situ Atomic-Scale Studies of the Formation of Epitaxial Pt Nanocrystals on Monolayer Molybdenum Disulfide

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  32. Use of Chemical Functionalities to Control Stability of Nanoparticles

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  33. Mass Transport in Nanoalloys Studied by Atomistic Models

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  34. Robust and Pristine Topological Dirac Semimetal Phase in Pressured Two-Dimensional Black Phosphorus

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  35. Second nearest-neighbor modified embedded-atom method interatomic potentials for the Pt-M (M = Al, Co, Cu, Mo, Ni, Ti, V) binary systems

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  37. Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences

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  38. Structure Sensitivity of Acrolein Hydrogenation by Platinum Nanoparticles on BaxSr1−xTiO3 Nanocuboids

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  39. Generation of circular prismatic dislocation loops in decahedral small particles

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    M.Yu. Krauchanka, Stanislav A. Krasnitckii, Mikhail Yu. Gutkin, A. L. Kolesnikova, Alexey Evgenievich Romanov, Elias C. Aifantis

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  40. Stable MoSi 2 nanofilms with controllable and high metallicity

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  41. Fracture of hollow multiply-twinned particles under chemical etching

    European Journal of Mechanics - A/Solids · 2017-11-22

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  42. Experimental and theoretical studies of the atomic structure of platinum-based nanoclusters

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  43. Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution

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  44. Aluminum Nanorods

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  45. Nanoparticles as Therapeutic Agents for Patients With Brain Tumors

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  46. State Equation of a Nanocrystal with Vacancies

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  47. The physical chemistry and materials science behind sinter-resistant catalysts

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  48. Novel behaviors/properties of nanometals induced by surface effects

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  49. Nanoscale kinetics of asymmetrical corrosion in core-shell nanoparticles

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  50. Surface Activation of Transition Metal Nanoparticles for Heterogeneous Catalysis: What We Can Learn from Molecular Dynamics

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