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The ultrafast dynamics of photon-to-charge conversion in an organic light harvesting system is studied by femtosecond time-resolved X-ray photoemission spectroscopy (TR-XPS) at the free-electron laser FLASH. This novel experimental…
Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate…
This paper investigates three spectroscopic techniques - Tunable Diode Laser Absorption Spectroscopy (TDLAS), Wavelength Modulation Spectroscopy (WMS), and Heterodyne Phase Sensitive Dispersion Spectroscopy (HPSDS) - to evaluate their…
An apporach for the sensing of small amounts of chemical and biochemical material is presented. A frequency selective surface (FSS) made from asymmetric split ring resonators (aDSR) is excited with free space radiation. Due to interference…
The greater information depth provided in Hard X-ray Photoelectron Spectroscopy (HAXPES) enables non-destructive analyses of the chemistry and electronic structure of buried interfaces. Moreover, for industrially relevant elements like Al,…
We propose and demonstrate a spatial partition method for the high-frequency photo-response of superconducting devices correlated with inductive and resistive changes in microwave impedance. Using a laser scanning microscope, we show that…
We report a new theoretical method for X-ray absorption spectroscopy (XAS) in condensed matter which is based on the multi-channel multiple scattering theory of Natoli et al. and the eigen-channel R-matrix method. While the highly flexible…
We establish a rigorous density functional theory (DFT) framework for core-level X-ray absorption spectroscopy (XAS) by formulating a constrained search for core-excited states based on the Gunnarsson-Lundqvist theorem. Within this…
Electroactive polymer thin films undergo repeated reversible structural change during operation in electrochemical applications. While synchrotron X-ray scattering is powerful for the characterization of stand-alone and ex-situ organic thin…
We find that layered materials composed of various oxides of cations with $s^2$ electronic configuration, $XY_2$O$_4$, $X$=In or Sc, $Y$=Ga, Zn, Al, Cd and/or Mg, exhibit isotropic electron effective mass which can be obtained via averaging…
High-resolution ($R = \lambda /\Delta \lambda > 2000$) x-ray absorption and emission line spectroscopy in the soft x-ray band is a crucial diagnostic for the exploration of the properties of ubiquitous warm and hot plasmas and their…
X-ray Photon Correlation Spectroscopy (XPCS) has emerged as a unique technique allowing the measurement of dynamics in materials on mesoscopic lengthscales. In particular, applications in soft matter physics cover a broad range of topics…
In this work we implement the real-time time-dependent block-orthogonalized Manby-Miller embedding (rt-BOMME) approach alongside our previously developed real-time frozen density embedding time-dependent density functional theory…
The multi-wavelength anomalous diffraction (MAD) method is used to determine phase information in x-ray crystallography by employing dispersion corrections from heavy atoms on coherent x-ray scattering. X-ray free-electron lasers (FELs)…
We report on the most complete investigation to date of the 4f-electron properties at the gamma-alpha transition in elemental Ce by resonant inelastic x-ray scattering (RIXS). The Ce 2p3d-RIXS spectra were measured directly in the bulk…
The type and distribution of oxygen functional groups in graphene oxide (GO) and reduced graphene oxide (RGO) remain still a subject of great debate. Local analytic techniques are required to access the chemistry of these materials at a…
Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…
A far-infrared system measures the full complex Faraday angle, rotation as well as ellipticity, with an unprecedented accuracy of 10\,$\mu$rad/T. The system operates on several far-infrared laser lines in the spectral range from 0.3 to 6…
The European X-ray Free Electron Laser (XFEL) will deliver 30,000 fully coherent, high brilliance X-ray pulses per second each with a duration below 100 fs. This will allow the recording of diffraction patterns of single complex molecules…
We describe an ab initio approach to simulate L-edge X-ray absorption (XAS) and 2p3d resonant inelastic X-ray scattering (RIXS) spectroscopies. We model the strongly correlated electronic structure within a restricted active space and…