The electronic structure of gas-phase H(2)O and D(2)O molecules has been investigated using resonant inelastic soft x-ray scattering (RIXS). We observe spectator shifts for all valence orbitals when exciting into the lowest three absorption resonances. Strong changes of the relative valence orbital emission intensities are found when exciting into the different absorption resonances, which can be related to the angular anisotropy of the RIXS process. Furthermore, excitation into the 4a(1) resonance leads to nuclear dynamics on the time scale of the RIXS process; we find evidence for vibrational coupling and molecular dissociation in both, the spectator and the participant emission.

A NaF/KF postdeposition treatment (PDT) has recently been employed to achieve new record efficiencies of Cu(In,Ga)Se (CIGSe) thin film solar cells. We have used a combination of depth-dependent soft and hard X-ray photoelectron spectroscopy as well as soft X-ray absorption and emission spectroscopy to gain detailed insight into the chemical structure of the CIGSe surface and how it is changed by different PDTs. Alkali-free CIGSe, NaF-PDT CIGSe, and NaF/KF-PDT CIGSe absorbers grown by low-temperature coevaporation have been interrogated. We find that the alkali-free and NaF-PDT CIGSe surfaces both display the well-known Cu-poor CIGSe chemical surface structure. The NaF/KF-PDT, however, leads to the formation of bilayer structure in which a K-In-Se species covers the CIGSe compound that in composition is identical to the chalcopyrite structure of the alkali-free and NaF-PDT absorber.

An endstation with two high-efficiency soft x-ray spectrographs was developed at Beamline 8.0.1 of the Advanced Light Source, Lawrence Berkeley National Laboratory. The endstation is capable of performing soft x-ray absorption spectroscopy, emission spectroscopy, and, in particular, resonant inelastic soft x-ray scattering (RIXS). Two slit-less variable line-spacing grating spectrographs are installed at different detection geometries. The endstation covers the photon energy range from 80 to 1500 eV. For studying transition-metal oxides, the large detection energy window allows a simultaneous collection of x-ray emission spectra with energies ranging from the O K-edge to the Ni L-edge without moving any mechanical components. The record-high efficiency enables the recording of comprehensive two-dimensional RIXS maps with good statistics within a short acquisition time. By virtue of the large energy window and high throughput of the spectrographs, partial fluorescence yield and inverse partial fluorescence yield signals could be obtained for all transition metal L-edges including Mn. Moreover, the different geometries of these two spectrographs (parallel and perpendicular to the horizontal polarization of the beamline) provide contrasts in RIXS features with two different momentum transfers.

Polycrystalline WO 3 thin films for photoelectrochemical hydrogen production were investigated using photoelectron spectroscopy and inverse photoemission. First, we report on a careful study to minimize X-ray and electron beam-induced degradation. Second, we combined ultraviolet photoelectron spectroscopy and inverse photoemission to determine the surface positions of the valence and conduction band edges, respectively, and the work function (i.e., the position of the vacuum level). This allows us to paint a completely experimentbased picture of the WO 3 surface level positions, which are of central relevance for the photoelectrochemical activity of such surfaces. We find the WO 3 surface to be wide gap [3.28 ((0.14) eV] and n-type, with the conduction band minimum 0.39 ((0.10) eV above the Fermi level and 0.31 ((0.11) eV above the H + /H 2 reduction potential. The valence band maximum is 2.89 ((0.10) eV below the Fermi level and 1.74 ((0.11) eV below the H 2 O/O 2 oxidation potential.