Abstract
The composition of occupied and unoccupied electronic states in the vicinity of Fermi energies is vital for all materials and relates to their physical, chemical and mechanical properties. This work demonstrates how the combination of resonant and non-resonant X-ray emission spectroscopies supplemented with theoretical modelling allows for quantitative analysis of electronic states in 5d transition metal and metal-oxide materials. Application of X-rays provides element selectivity that, in combination with the penetrating properties of hard X-rays, allows determination of the composition of electronic states under working conditions, i.e. non-vacuum environment. Tungsten metal and tungsten oxide are evaluated to show the capability to simultaneously assess composition of around-band-gap electronic states as well as the character and magnitude of the crystal field splitting.
Highlights
Compounds based on transition metals constitute one of the most interesting classes of materials with a variety of compositions and geometrical structures (Chen et al, 2019; van Gog et al, 2019; Guo et al, 2015)
This approach is based on a combination of resonant X-ray emission spectroscopy (RXES) experiments and theoretical calculations to determine the electronic structure of undoped anatase TiO2 and carbon, nitrogen- and sulfur-doped TiO2
The experimental RXES planes for metallic tungsten and tungsten (VI) oxide materials are presented in Figs. 1(a) and
Summary
Compounds based on transition metals constitute one of the most interesting classes of materials with a variety of compositions and geometrical structures (Chen et al, 2019; van Gog et al, 2019; Guo et al, 2015). This approach is based on a combination of resonant X-ray emission spectroscopy (RXES) experiments and theoretical calculations to determine the electronic structure of undoped anatase TiO2 and carbon-, nitrogen- and sulfur-doped TiO2. We would like to emphasize that our studies were aimed at understanding electronic structure determined by a combination of X-ray spectroscopy methods to probe tungsten-based materials in a working chemical environment and with bulk sensitivity. The major limitation of electron-based techniques is they cannot be used for in situ/operando studies
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