0000000000115271

AUTHOR

Sub Inorganic Chemistry And Catalysis

showing 4 related works from this author

Multi-doped Brookite-Prevalent TiO2 Photocatalyst with Enhanced Activity in the Visible Light

2018

© 2018 Springer Science+Business Media, LLC, part of Springer Nature Abstract: Enabling solar and/or visible light-driven photocatalysis is a crucial step to access innovative applications in environmental science and sustainable energy. Titanium dioxide is the most used photocatalyst because of its low cost and toxicity, however it is also limitedly active under visible light irradiation due to its wide band gap. Among its polymorphs, brookite holds promising optoelectronic properties for visible light photocatalysis, which have to the best of our knowledge been limitedly exploited. Here, a C,S,N-doped brookite-based TiO2has been prepared via a rapid one-pot sol–gel synthesis. Besides subs…

Band gap02 engineering and technology010402 general chemistry01 natural sciencesCatalysisHeterogeneous catalysichemistry.chemical_compoundVisible-light photocatalysiSpecific surface areaBrookiteDopingHeterogeneous catalysisbusiness.industryBrookiteDopingWide-bandgap semiconductorGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesVisible-light photocatalysischemistryvisual_artTitanium dioxidePhotocatalysisvisual_art.visual_art_mediumOptoelectronicsTitanium dioxide0210 nano-technologybusinessVisible spectrum
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Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support

2020

Abstract Controlling the size and uniformity of metal clusters with atomic precision is essential for fine‐tuning their catalytic properties, however for clusters deposited on supports, such control is challenging. Here, by combining X‐ray absorption spectroscopy and density functional theory calculations, it is shown that supports play a crucial role in the evolution of monolayer‐protected clusters into catalysts. Based on the acidic nature of the support, cluster‐support interactions lead either to fragmentation of the cluster into isolated Au–ligand species or ligand‐free metallic Au0 clusters. On Lewis acidic supports that bind metals strongly, the latter transformation occurs while pre…

010402 general chemistry01 natural sciencesgold clustersNanomaterials | Hot PaperCatalysiskultaCatalysisNanomaterialsmonolayer-protected clustersMetalklusteritnoncovalent interactionskatalyytitMonolayerCluster (physics)Non-covalent interactionschemistry.chemical_classificationX-ray absorption spectroscopyFull Paper010405 organic chemistryOrganic ChemistryX-ray absorption spectroscopyGeneral ChemistryFull Papersgold0104 chemical sciencesX-Ray Absorption SpectroscopychemistryChemical physicsvisual_artdensity functional calculationsvisual_art.visual_art_mediumDensity functional theorynanohiukkasetcluster-support interactionChemistry (Weinheim an Der Bergstrasse, Germany)
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2p x-ray absorption spectroscopy of 3d transition metal systems

2021

Abstract This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculati…

Quantum chemistry calculationsComputer science02 engineering and technology01 natural sciencesTheoretical physicsAtomic and Molecular Physics0103 physical sciencesTaverneElectronicCluster (physics)Optical and Magnetic MaterialsPhysical and Theoretical ChemistryWave functionElectronic band structureMultipletComputingMilieux_MISCELLANEOUSDensity Functional TheorySpectroscopyX-ray absorption spectroscopy; Density Functional Theory; Quantum chemistry calculationsX-ray absorption spectroscopyRadiation010304 chemical physicsBasis (linear algebra)X-ray absorption spectroscopy021001 nanoscience & nanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic Materials[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]First principleDensity functional theoryand Optics0210 nano-technologyDen kondenserade materiens fysik
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Exchange coupling in the correlated electronic states of amorphous GdFe films

2013

The bulk sensitivity of hard x-ray photoelectron spectroscopy in combination with circularly polarized radiation of the P09 beamline at PETRA III enables the investigation of the magnetic properties of capped films. We have determined the temperature dependence of the magnetic circular dichroism in the Fe 2$p$ and in the Gd 3$d$ states in amorphous GdFe films. The magnetic dichroism reflects the stronger temperature dependence of Gd moments compared to Fe moments in agreement with mean-field models. We resolved the exchange split Gd 3${d}_{5/2}$ substates and found a significant temperature dependence of the splitting which is attributed to a temperature dependent part of the exchange energ…

Circular dichroismMaterials scienceCondensed matter physicsAbsorption spectroscopySpin polarizationPHOTOELECTRON-SPECTROSCOPYSPIN POLARIZATIONVALENCE STATESMagnetic circular dichroismExchange interactionCORE-LEVEL PHOTOEMISSIONLOCALIZED MAGNETIC SYSTEMSDichroismCondensed Matter PhysicsMAGNETOOPTICAL PROPERTIESX-RAY DICHROISMElectronic Optical and Magnetic MaterialsAmorphous solidCIRCULAR-DICHROISMANGULAR-DISTRIBUTIONX-ray photoelectron spectroscopyddc:530TRANSITION-METAL ALLOYS
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