Klemen Bucar

The photodissociation of HCl via the antibonding 2 p − 1 σ * resonance occurs on the same 10-fs timescale as the Auger decay of the 2 p vacancy. This means that the v , v ′ , and σ * valence molecular orbitals involved in the electronic transition can significantly differ from the orbitals at the ground state equilibrium internuclear position. The nonrelativistic L − v v ′ resonant Auger (RA) spectrum based on the stationary Green's function approach gives a good estimate of relative intensities of the three main spectral features in the 173 – 182 eV emission energy range, but fails to reproduce highly resolved experimental data. We show that addition of the spin-orbit interaction of the 2 π − 2 σ * and 5 σ − 1 2 π − 1 σ * final states significantly improves the agreement for the spectral feature arising from the 4 Π , 2 Σ , and 4 Σ states that converge to the H + Cl + ( 3 P ) dissociation limit. Somewhat surprisingly, we found that the P 3 nonrelativistic limit splits to five instead of three 3 p − 2 ( 3 P 0 , 1 , 2 ) dissociation limits of the Cl + fragment at large internuclear distances. The similarity with the atomic case is broken because of a different nature of the 2 Π molecular state, which is populated by a weak participator Auger decay and converges to a different, significantly higher H + + Cl( P 2 ) dissociation limit. Our analysis shows that the remaining differences with an angle-integrated experimental spectrum are caused primarily by inaccuracies of the nonrelativistic final state potentials and not by the one-center approximation of the spectator Auger transition rates. The potential slope differences are imprinted on the RA spectrum with a sensitivity and range depending on the duration of molecular dissociation with respect to the core-hole lifetime.

We have observed amplification of weak fluorescence from He atoms in the 3a P o 1 autoionizing state, which decay by spontaneous emission of 40.74 eV photons in one out of 1600 cases. On average, a 4.1 ± 1.6 % conversion of 63.67 eV photons was detected in the forward direction at 20 μ J pump pulse energy and 40 mbar He gas pressure. A comparison with state-of-the-art theoretical simulations shows an unexpected spectral line shift at high gas pressure that is ascribed to transient molecular and electron scattering effects.

In recent years, Al metal organic batteries have attracted significant interest due to their promise of sustainability and high volumetric energy densities, while being based on abundant materials. However, many studies assess their performance with insufficient rigor, often emphasizing high capacity and power performance, as well as cycling stability at very high cycling rates. Herein, the feasibility of a highly stable β‐ketoenamine‐linked anthraquinone‐based covalent organic framework (DAAQ‐TFP‐COF) for rechargeable Al batteries is reassessed. First, the influence of different voltage windows on electrochemical behavior in an ionic liquid electrolyte, identifying an optimal balance between capacity and stability, is investigated. Within the optimized voltage window of 0.5 to 2.0 V, DAAQ‐TFP‐COF achieves a capacity of 113.9 mAh g⁻¹ at 50 mA g⁻¹. To gain deeper insight into the charge storage mechanism, surface‐ and bulk‐sensitive characterization techniques—energy‐dispersive X‐ray spectroscopy and X‐ray Raman spectroscopy—confirming monovalent AlCl₂⁺ as the main coordination species are employed. Finally, the compatibility of DAAQ‐TFP‐COF with more cost‐effective amide‐based Al electrolytes is evaluated. In butyramide‐based electrolyte, the organic material exhibits stable performance and high Coulombic efficiency. Based on our findings, a realistic outlook on the key challenges that must be addressed to advance COF‐based electrodes for future aluminum battery applications is provided.

Single photon simultaneous core ionization/core excitation (K ⁻² V) of the Benzene molecule has been observed experimentally, using synchrotron radiation, by electron coincidence spectroscopy with a magnetic bottle time-of-flight electron spectrometer and reveals a rich spectrum. DFT and Post–Hartree–Fock calculations provide detailed assignments of K ⁻² V states. The specific Auger decay of these states has also been determined experimentally with a new technique to improve the energy resolution.

In this work, we characterise the performance of a Sharp optical aerosol sensor model GP2Y1010AU0F. The sensor was exposed to different environments: to a clean room, to a controlled atmosphere with known aerosol size distribution and to the ambient atmosphere on a busy city street. During the exposure, the output waveforms of the sensor pulses were digitised, saved and a following offline analysis enabled us to study the behaviour of the sensor pulse-by-pulse. A linear response of the sensor on number concentration of the monosized dispersed PSL particles was shown together with an almost linear dependence on particle diameters in the 0.4 to 4 micrometer range. The gathered data about the sensor were used to predict its response to an ambient atmosphere, which was observed simultaneously with a calibrated optical particle counter.