Atomically Precise Nanoclusters

I Nanocluster Synthesis and Structural CharacterizationChemical Synthesis and Physical Isolation of Metal NanoclustersIntroductionSynthesis Principles of Gold NanoclustersIsolation of Gold NanoclustersFractionated PrecipitationRecrystallizationSolvent ExtractionPolyacrylamide Gel ElectrophoresisSize Exclusion ChromatographyHigh-Performance Liquid ChromatographySeparation of NCs depending on core sizesSeparation of NCs depending on the chargeSeparation of doped NCsSeparation of NCs depending on the ligand compositionSeparation of coordination isomerSeparation of enantiomers of intrinsically chiral NCsThin-Layer ChromatographyOther Separation MethodsSummaryNanoparticles with Atomic Resolution: Synthesis and Stable Structures of Atomically Precise Gold NanoclustersIntroductionAtomically Precise Synthesis of Metal NanoclustersSize-Focusing MethodologyLigand-Exchange-Induced Size/Structure TransformationSynthesis and Structure Determination of Large Gold NanoclustersIcosahedral StructuresDecahedral Structures Face-Centered Cubic StructuresConclusions and Future PerspectivesSynthesis and Structure of Selenolate-Protected Metal NanoclustersIntroductionSynthetic MethodsDirect SynthesisLigand ExchangeSize FocusingStructure of Selenolate-Capped Metal ClustersMetal Nanocluster Protected by Full Selenolate LigandsMetal Nanocluster Co-capped by Selenolate and PhosphineSummaryStrategy for Structural Prediction of Thiolate-Protected Au Nanoclusters Based on Density Functional TheoryIntroductionStructural Predictions of RS-AuNPsUnbiased Prediction MethodBiased Prediction Strategy for RS-AuNPsConclusionII Electronic and Optical Properties of NanoclustersToward Understanding the Structure of Gold NanoclustersIntroductionTheoretical Models of Structures of AuNCs“Divide and Protect Model” ConceptInherent Structure RuleSuperatom Complex (SAC) ModelSuperatom Network (SAN) ModelGrand Unified Model (GUM)Rethinking the Structure of Gold Nanoclusters with fcc-Based Kernel through GUMSegregation of Sample AuNCs Based on GUMValidation of CalculationsBond Length and Bond OrderConclusionOptical Properties of Atomically Precise Gold Nanoclusters: Transition from Excitons to PlasmonsIntroductionOptical Properties of Small-Sized Gold NanoclustersAu25(SR)18 NanoclustersSingle-Atom Effect on Optical PropertiesOptical Properties of Large-Sized Gold NanoclustersCase of Au246(SR)80Case of Au279(SR)84Conclusions and Future PerspectivesGold Nanoclusters with Atomic Precision: Optical PropertiesIntroductionOptical PropertiesAbsorption PropertiesPhotoluminescenceCapping the gold core with different ligandsTailoring core size and dopingAggregation-induced emissionNonlinear Optical PropertiesTwo-Photon Absorption/EmissionSecond Harmonic GenerationUltrafast Electron DynamicsMetallic or nonmetallic state of gold nanoparticlesElectron and energy transferOptical StabilityOptical Rotation and Circular Dichroism (CD) of Gold NanoclustersOrigin of Chirality of Gold ClustersOptical Properties of Chiral Gold ClustersSummary and ProspectsIII Catalytic Application of NanoclustersCatalytic Application of Well-Defined Au Nanoparticles: Oxidation, Hydrogenation, and Coupling ReactionsIntroductionHomogeneous CatalysisHydrogenation of AldehydePhoto-oxidationHeterogeneous CatalysisOxidationCO oxidationPhoto-oxidation of amines to iminesHydrogenationHydrogenation of aldehydesSemihydrogenationOne-Pot Cascade CouplingConclusionsCatalytic Application of Atomically Precise Metal Nanoclusters as Heterogeneous Catalysts in Industrially Important Chemical ReactionsIntroductionCatalysis of Surface Active SitesSelective OxidationSelective HydrogenationOther Catalytic ReactionsCatalysis of Non-surface Active SitesCentral Atom Doped by a Foreign AtomAppearance and Disappearance of Central AtomDensity Functional Theory Studies for Catalysis of Atomically Precise Metal ClustersIntroductionDFT-Related Methods for Cluster CatalysisDetermination of Atomistic Structures for CatalystsDetermining Electronic Structures for CatalystsPredicting Spectra for CatalystsAdiabatic and Non-adiabatic Molecular DynamicsTransition State Theory and MicrokineticsDesigning Factors for Atomically Precise Metal Cluster Catalysis from DFT StudiesCharge State of the CatalystPoint VacancyMetal Cluster SurfaceRoles of Protective LigandsStructural Evolution of CatalystConclusions and Future Perspectives
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