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Transition metal doping is known to increase the photosensitivity to visible light for photocatalytically active ZnO. We report on the electronic structure of nano-crystalline Fe:ZnO, which has recently been shown to be an efficient photocatalyst. The photo-activity of ZnO reduces Fe from 3+ to 2+ in the surface region of the nano-crystalline material. Electronic states corresponding to low-spin Fe 2+ are observed and attributed to crystal field modification at the surface. These states can be important for the photocatalytic sensitivity to visible light due to their deep location in the ZnO bandgap. X-ray absorption and x-ray photoemission spectroscopy suggest that Fe is only homogeneously distributed for concentrations up to 3%. Increased concentrations does not result in a higher concentration of Fe ions in the surface region. This is a crucial factor limiting the photocatalytic functionality of ZnO, where the most efficient doping concentration have been shown to be 2-4% for Fe doping. Using resonant photoemission spectroscopy we determine the location of Fe 3d states with sensitivity to the charge states of the Fe ion even for multi-valent and multi-coordinated Fe.
Thouless quantization of adiabatic particle transport permits to associate an integer topological charge with each atom of an electronically gapped material. If these charges are additive and independent of atomic positions, they provide a rigorous d
By means of pump-probe time- and angle-resolved photoelectron spectroscopy, we provide evidence of a sizeable reduction of the Fermi velocity of out-of-equilibrium Dirac bands in the quasi-two-dimensional semimetal BaNiS$_2$. First-principle calculat
We present an accurate study of the static-nucleus electronic energy band gap of solid molecular hydrogen at high pressure. The excitonic and quasiparticle gaps of the $C2/c$, $Pc$, $Pbcn$, and $P6_3/m$ structures at pressures of 250, 300, and 350~GP
Electrides are an emerging class of materials with excess electrons localized in interstices and acting as anionic interstitial quasi-atoms (ISQs). The spatial ion-electron separation means that electrides can be treated physically as ionic crystals,
By means of Raman spectroscopy of liquid microjets we have investigated the crystallization process of supercooled quantum liquid mixtures composed of parahydrogen (pH$_2$) diluted with small amounts of up to 5% of either neon or orthodeuterium (oD$_