Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

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The electronic structure of metallic Bi2Ir2O7 has been investigated by a combination of soft x-ray absorption spectroscopy, x-ray emission spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS) in the vicinity of the oxygen K edge. The O K-edge ...

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The amorphous structure of the phase change material Ge2Sb2Te5 (GST) has been the object of controversial structural models. By employing first-principles molecular dynamics within density functional theory, we are able to obtain quantitative agreement wit ...

We investigate the emission properties of excitons in GaAs nanowires containing quantum disks formed by structural alternation between the zinc-blende and wurtzite phases, by means of temperature-dependent photoluminescence. At 10 K the emission from an en ...

Real-time X-ray microscopy was used to study the influence of hydrogen-bubble formation on the morphology of ramified zinc electrodeposit. The experimental results show that when intense hydrogen bubbling occurs at high potential, the morphology of the ram ...

Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

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Electronic structure of Bi2 Ir2 O7 probed by resonant inelastic x-ray scattering at the oxygen K edge: Metallicity, hybridization, and electronic correlations

Electron-Beam Writing of Atomic-Scale Reconstructions at Oxide Interfaces

Ab initio study of water dissociation on a charged Pd(111) surface

Optical and thermal characterization of a group-III nitride semiconductor membrane by microphotoluminescence spectroscopy and Raman thermometry

Disclosing the response of the surface electronic structure in SrTiO3 (001) to strain

Organic Spacers in 2D Perovskites: General Trends and Structure-Property Relationships from Computational Studies

Ionosomes: Observation of Ionic Bilayer Water Clusters

Interfacial versus Bulk Properties of Hole-Transporting Materials for Perovskite Solar Cells: Isomeric Triphenylamine-Based Enamines versus Spiro-OMeTAD

Masking specific effects of ionic liquid constituents at the solid-liquid interface by surface functionalization

Atomic-scale structure of the glassy Ge2Sb2Te5 phase change material: A quantitative assessment via first-principles molecular dynamics

Exciton localization mechanisms in wurtzite/zinc-blende GaAs nanowires

Hydrogen bubbles and the growth morphology of ramified zinc by electrodeposition