Angewandte Chemie International Edition, ISSN 1433-7851, 08/2017, Volume 56, Issue 33, pp. 9727 - 9731
Understanding the process of the self‐assembly of gigantic polyoxometalates and their subsequent molecular growth, by the addition of capping moieties onto the...
molecular growth | symmetry breaking | gigantic cluster | molybdenum blue | polyoxometalates | MULTIPHILIC LIGANDS | DESIGN | PROTEIN | BUILDING-BLOCKS | CAVITY | METAL-OXIDE | CHEMISTRY, MULTIDISCIPLINARY | WHEEL | CHEMISTRY | SURFACE | DEVICES | Molybdenum | Prisoners of war | Self assembly | Capping | Self-assembly | Clusters | Chemical synthesis | Polyoxometallates | Communications | Communication
molecular growth | symmetry breaking | gigantic cluster | molybdenum blue | polyoxometalates | MULTIPHILIC LIGANDS | DESIGN | PROTEIN | BUILDING-BLOCKS | CAVITY | METAL-OXIDE | CHEMISTRY, MULTIDISCIPLINARY | WHEEL | CHEMISTRY | SURFACE | DEVICES | Molybdenum | Prisoners of war | Self assembly | Capping | Self-assembly | Clusters | Chemical synthesis | Polyoxometallates | Communications | Communication
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2010, Volume 12, Issue 4, pp. 786 - 811
We review the growing role of computational techniques in modelling the structures and properties of nano-particulate oxides and sulphides. We describe the...
LASER-ABLATION | SILICON-OXIDE CLUSTERS | GLOBAL OPTIMIZATION | METAL-OXIDE | ZINC-OXIDE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ZNO CLUSTERS | MOLECULAR-DYNAMICS SIMULATIONS | DENSITY-FUNCTIONAL THEORY | STRUCTURE PREDICTION | ELECTRONIC-STRUCTURE
LASER-ABLATION | SILICON-OXIDE CLUSTERS | GLOBAL OPTIMIZATION | METAL-OXIDE | ZINC-OXIDE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ZNO CLUSTERS | MOLECULAR-DYNAMICS SIMULATIONS | DENSITY-FUNCTIONAL THEORY | STRUCTURE PREDICTION | ELECTRONIC-STRUCTURE
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 01/2010, Volume 12, Issue 4, pp. 786 - 811
We review the growing role of computational techniques in modelling the structures and properties of nano-particulate oxides and sulphides. We describe the...
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 08/2012, Volume 134, Issue 34, pp. 14004 - 14010
Three novel polyoxoniobates, KNa2[Nb24O72H21]·38H2O (1), K2Na2[Nb32O96H28]·80H2O (2), and K12[Nb24O72H21]4·107H2O (3) with molecular triangle, molecular...
HYDROGEN EVOLUTION | OXIDATION | POLYOXOTUNGSTATES | METAL-OXIDE | POLYOXOMETALATE CLUSTERS | CHEMISTRY | PENTAGONAL BUILDING-BLOCKS | HETEROPOLYNIOBATES | CHEMISTRY, MULTIDISCIPLINARY | CATALYSTS | WATER | Thermal properties | Usage | Molecular structure | Analysis | Spectrum analysis | Chemical properties | Electron transport | Polymers | Methods
HYDROGEN EVOLUTION | OXIDATION | POLYOXOTUNGSTATES | METAL-OXIDE | POLYOXOMETALATE CLUSTERS | CHEMISTRY | PENTAGONAL BUILDING-BLOCKS | HETEROPOLYNIOBATES | CHEMISTRY, MULTIDISCIPLINARY | CATALYSTS | WATER | Thermal properties | Usage | Molecular structure | Analysis | Spectrum analysis | Chemical properties | Electron transport | Polymers | Methods
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 9/2016, Volume 18, Issue 36, pp. 25687 - 25692
Density functional theory (DFT) calculations using a small metal cluster couple, Mo 2 O 4 − /Mo 2 O 5 − , are used to model a complete catalytic cycle for H 2...
H BOND ACTIVATION | TRANSITION-ELEMENTS | OXIDATION | CARBON-MONOXIDE | BUILDING-BLOCKS | METAL-OXIDE | AB-INITIO | SPIN-STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHARGE-STATE | Couples | Catalysts | Barriers | Reagents | Clusters | Mathematical models | Catalysis | Hydrogen production
H BOND ACTIVATION | TRANSITION-ELEMENTS | OXIDATION | CARBON-MONOXIDE | BUILDING-BLOCKS | METAL-OXIDE | AB-INITIO | SPIN-STATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHARGE-STATE | Couples | Catalysts | Barriers | Reagents | Clusters | Mathematical models | Catalysis | Hydrogen production
Journal Article
Advanced Materials, ISSN 0935-9648, 04/2017, Volume 29, Issue 13, pp. 1606200 - n/a
Superefficient water‐splitting materials comprising sub‐nanometric copper clusters and quasi‐amorphous cobalt sulfide supported on copper foam are reported....
water splitting | electrocatalysis | composite materials | energy | OXIDATION | HYDROGEN EVOLUTION REACTION | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MOLYBDENUM-DISULFIDE | MATERIALS SCIENCE, MULTIDISCIPLINARY | METAL-OXIDE | BIFUNCTIONAL ELECTROCATALYST | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMISTRY, MULTIDISCIPLINARY | OXYGEN EVOLUTION | FACILE SYNTHESIS | DOUBLE HYDROXIDE | SMALL CU CLUSTERS | CATALYSTS | Sulfides | Water splitting | Electrocatalysts | Clusters | Amorphous materials | Catalysis | Copper | Cobalt sulfide | Anodes | CATHODES | SULFIDES | ANODES | Cobalt | Foams | AMORPHOUS STRUCTURE | Robustness | Coupling | WATER
water splitting | electrocatalysis | composite materials | energy | OXIDATION | HYDROGEN EVOLUTION REACTION | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MOLYBDENUM-DISULFIDE | MATERIALS SCIENCE, MULTIDISCIPLINARY | METAL-OXIDE | BIFUNCTIONAL ELECTROCATALYST | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMISTRY, MULTIDISCIPLINARY | OXYGEN EVOLUTION | FACILE SYNTHESIS | DOUBLE HYDROXIDE | SMALL CU CLUSTERS | CATALYSTS | Sulfides | Water splitting | Electrocatalysts | Clusters | Amorphous materials | Catalysis | Copper | Cobalt sulfide | Anodes | CATHODES | SULFIDES | ANODES | Cobalt | Foams | AMORPHOUS STRUCTURE | Robustness | Coupling | WATER
Journal Article
7.
Full Text
Structures of [CoO(CO2) n ]− and [NiO(CO2) n ]− Clusters Studied by Infrared Spectroscopy
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2015, Volume 119, Issue 5, pp. 843 - 850
We present infrared spectra of [CoO(CO2) n ]− and [NiO(CO2) n ]− clusters and interpret them in the framework of computational results employing density...
ACTIVATION | STOICHIOMETRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | ANIONIC COMPLEXES | REACTIVITY | CHEMISTRY, PHYSICAL | METAL-OXIDE CLUSTERS | BOND-ENERGIES | CARBON-DIOXIDE | CHARGE-STATE | COBALT
ACTIVATION | STOICHIOMETRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | ANIONIC COMPLEXES | REACTIVITY | CHEMISTRY, PHYSICAL | METAL-OXIDE CLUSTERS | BOND-ENERGIES | CARBON-DIOXIDE | CHARGE-STATE | COBALT
Journal Article
8.
Full Text
Influence of Cluster-Support Interactions on Reactivity of Size-Selected NbxOy Clusters
Journal of Physical Chemistry C, ISSN 1932-7447, 07/2015, Volume 119, Issue 26, pp. 14756 - 14768
Size-selected niobium Oxide nanoclusters (Nb3O5, Nb3O7, Nb4O7, and Nb4O10) were deposited at room temperature onto a Cu(111) surface and a thin film of Cu2O on...
WATER-GAS SHIFT | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | OXYGEN-INDUCED RECONSTRUCTIONS | TOTAL-ENERGY CALCULATIONS | NIOBIUM OXIDE | CU SURFACE | HYDROGEN-PRODUCTION | SCANNING-TUNNELING-MICROSCOPY | METAL-OXIDE CLUSTERS | WAVE BASIS-SET | ELECTRONIC-STRUCTURE | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
WATER-GAS SHIFT | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | OXYGEN-INDUCED RECONSTRUCTIONS | TOTAL-ENERGY CALCULATIONS | NIOBIUM OXIDE | CU SURFACE | HYDROGEN-PRODUCTION | SCANNING-TUNNELING-MICROSCOPY | METAL-OXIDE CLUSTERS | WAVE BASIS-SET | ELECTRONIC-STRUCTURE | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 02/2013, Volume 52, Issue 9, pp. 2444 - 2448
Single, double, triple: Highly selective double H atom ion (HAA) from ethane and triple HAA from n‐butane by AuNbO3+ clusters have been characterized by mass...
gold | density functional calculations | CH activation | cluster compounds | radical ions | C-H activation | HYDROGEN-ATOM ABSTRACTION | REACTIVITY | AU CLUSTERS | CHEMISTRY, MULTIDISCIPLINARY | METHANE ACTIVATION | OXYGEN | CH activation | COUPLED ELECTRON-TRANSFER | GAS-PHASE | AEROBIC OXIDATION | METAL-OXIDE CLUSTERS | THEORETICAL CHEMISTRY
gold | density functional calculations | CH activation | cluster compounds | radical ions | C-H activation | HYDROGEN-ATOM ABSTRACTION | REACTIVITY | AU CLUSTERS | CHEMISTRY, MULTIDISCIPLINARY | METHANE ACTIVATION | OXYGEN | CH activation | COUPLED ELECTRON-TRANSFER | GAS-PHASE | AEROBIC OXIDATION | METAL-OXIDE CLUSTERS | THEORETICAL CHEMISTRY
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 10/2018, Volume 24, Issue 55, pp. 14701 - 14706
Novel 17‐nuclear Zr/Hf oxide clusters ({Zr17} and {Hf17}) are isolated from aqueous systems. In the clusters, Zr/Hf ions are connected through μ3‐O, μ3‐OH, and...
IVB elements | ZrO2 | prenucleation clusters | crystallization mechanisms | metal oxide clusters | HYDROXO | TITANIUM-OXO CLUSTERS | CRYSTAL-STRUCTURE | HEXANUCLEAR ZR(IV) COMPLEX | HAFNIUM | CHEMISTRY, MULTIDISCIPLINARY | METAL-ORGANIC FRAMEWORKS | SULFATE | ZR-IV | WATER | INSIGHTS | Protons | Thermodynamics | Zirconium | Electric properties | Hydrothermal systems | Temperature | Conductivity | Inspection | Ion currents | Hafnium oxide | Nanomaterials | Synthesis | Condensates | Zirconium oxides | Clusters | Zirconium dioxide | Nanotechnology | Vibrational spectra
IVB elements | ZrO2 | prenucleation clusters | crystallization mechanisms | metal oxide clusters | HYDROXO | TITANIUM-OXO CLUSTERS | CRYSTAL-STRUCTURE | HEXANUCLEAR ZR(IV) COMPLEX | HAFNIUM | CHEMISTRY, MULTIDISCIPLINARY | METAL-ORGANIC FRAMEWORKS | SULFATE | ZR-IV | WATER | INSIGHTS | Protons | Thermodynamics | Zirconium | Electric properties | Hydrothermal systems | Temperature | Conductivity | Inspection | Ion currents | Hafnium oxide | Nanomaterials | Synthesis | Condensates | Zirconium oxides | Clusters | Zirconium dioxide | Nanotechnology | Vibrational spectra
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 09/2014, Volume 53, Issue 36, pp. 9482 - 9486
Identification and mechanistic study of thermal methane conversion mediated by gas‐phase species is important for finding potentially useful routes for direct...
methane | mass spectrometry | platinum | density functional computations | cluster anions | GAS-PHASE OXIDATION | CHEMISTRY, MULTIDISCIPLINARY | CATIONS | H BOND ACTIVATION | TEMPERATURE | POTENTIAL-ENERGY SURFACE | MECHANISTIC INSIGHTS | GUIDED-ION-BEAM | METAL-OXIDE CLUSTERS | CATALYSTS | C-H | Methane | Density functionals | Yuan (China) | Mass spectrometry | Formaldehyde | Methanol | Atoms & subatomic particles
methane | mass spectrometry | platinum | density functional computations | cluster anions | GAS-PHASE OXIDATION | CHEMISTRY, MULTIDISCIPLINARY | CATIONS | H BOND ACTIVATION | TEMPERATURE | POTENTIAL-ENERGY SURFACE | MECHANISTIC INSIGHTS | GUIDED-ION-BEAM | METAL-OXIDE CLUSTERS | CATALYSTS | C-H | Methane | Density functionals | Yuan (China) | Mass spectrometry | Formaldehyde | Methanol | Atoms & subatomic particles
Journal Article