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| 2. |
- Kushawaha, R. K., et al.
(författare)
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Auger resonant-Raman decay after Xe L-edge photoexcitation
- 2015
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 92:1
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Tidskriftsartikel (refereegranskat)abstract
- We have investigated resonant Auger decay of xenon following photoexcitation of each of the three L edges under resonant-Raman conditions, which allowed us to characterize several higher Rydberg transitions. Relative intensities for spectator final states reached after L-1-, L-2-, and L-3-edge excitations are studied in detail. Thanks to state-of-the-art experimental arrangements, our results not only reproduce the previously calculated 3d(-2)5d and nd (n > 5) state cross sections after L-3 excitation, but also allow extracting the 3d(-2)6d spectator state energy position and revealing its resonant behavior, blurred by the insufficient experimental resolution in previous data sets. The 3d(-2)6p and 3d(-2)7p states reached after L-1 excitation as well as the 3d(-2)5d and 3d(-2)6d states reached after L-2 excitation are also investigated and their relative intensities are reported and compared to ab initio Dirac-Hartree-Fock configuration-interaction calculations. We found the signature of electronic-state-lifetime interference effects between several coherently excited intermediate states, due to large lifetime broadening. Electron recapture processes are also identified above all three photoionization thresholds.
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| 3. |
- Ceolin, D., et al.
(författare)
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Auger resonant-Raman study at the Ar K edge as probe of electronic-state-lifetime interferences
- 2015
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 91:2
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Tidskriftsartikel (refereegranskat)abstract
- The resonant-Auger decay in argon following Ar 1s - np excitations was studied under resonant-Raman conditions, i.e., with a total instrumental bandwidth much narrower than the natural linewidth of the absorption features. These state-of-the-art experiments are combined with a radiationless resonant-Raman scattering theory. The main results include identification of the energy position of some high-lying Rydberg states previously masked by insufficient resolution and clear evidence of electronic-state-lifetime interference phenomena.
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| 4. |
- Kukk, E., et al.
(författare)
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Unified treatment of recoil and Doppler broadening in molecular high-energy photoemission
- 2021
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Ingår i: New Journal of Physics. - : Institute of Physics Publishing (IOPP). - 1367-2630. ; 23:6
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Tidskriftsartikel (refereegranskat)abstract
- Doppler and recoil effects are an integral part of the photoemission process at the high kinetic energies reached in hard x-ray photo-electron spectroscopy (HAXPES) and have a major effect on the observed lineshape, resulting in broadening, energy losses and discrete excitations. These effects can be modeled with a high degree of detail for small systems like diatomic molecules, for larger systems such treatment is often superfluous as the fine spectral features are not observable. We present a united description of the Doppler and recoil effects for arbitrary polyatomic systems and offer an approximate description of the recoil- and Doppler-modified photoemission spectral lineshape as a practical tool in the analysis of HAXPES spectra of core-level photoemission. The approach is tested on the examples of carbon dioxide and pentane molecules. The C and O 1s photoelectron spectra of CO2 in gas phase were also measured at 2.3 and 7.0 keV photon energy at Synchrotron SOLEIL and the spectra were analyzed using the model description. The limitations and applicability of the approach to adsorbates, interfaces and solids is briefly discussed.
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| 5. |
- Puettner, R., et al.
(författare)
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Double core-hole states in SiX4 (X = F, Cl, Br, and CH3) molecules derived by photoelectron and KLL Auger spectroscopy
- 2015
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Ingår i: Journal of Physics, Conference Series. - : IOP Publishing. - 1742-6588 .- 1742-6596. ; 635
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Tidskriftsartikel (refereegranskat)abstract
- In recent years double core-hole states are intensively studied since their chemical shifts provide detailed information about initial-state and relaxation effects in a molecule. We derived the Si 1 s(-1), 2s(-1) and 2p(-1) binding energies as well as the Si 2s(-2), 2(p-1)2p(-1), and 2p(-2) double-core hole binding energies of different SiX4 systems in order to derive the chemical shifts. Based on these results we created Wagner plots, which give insight in the initial state and the relaxation effects in the different molecules.
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| 6. |
- Atkins, Duncan, et al.
(författare)
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Understanding Battery Interfaces by Combined Characterization and Simulation Approaches : Challenges and Perspectives
- 2022
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Ingår i: Advanced Energy Materials. - : John Wiley & Sons. - 1614-6832 .- 1614-6840. ; 12:17
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Forskningsöversikt (refereegranskat)abstract
- Driven by the continuous search for improving performances, understanding the phenomena at the electrode/electrolyte interfaces has become an overriding factor for the success of sustainable and efficient battery technologies for mobile and stationary applications. Toward this goal, rapid advances have been made regarding simulations/modeling techniques and characterization approaches, including high-throughput electrochemical measurements coupled with spectroscopies. Focusing on Li-ion batteries, current developments are analyzed in the field as well as future challenges in order to gain a full description of interfacial processes across multiple length/timescales; from charge transfer to migration/diffusion properties and interphases formation, up to and including their stability over the entire battery lifetime. For such complex and interrelated phenomena, developing a unified workflow intimately combining the ensemble of these techniques will be critical to unlocking their full investigative potential. For this paradigm shift in battery design to become reality, it necessitates the implementation of research standards and protocols, underlining the importance of a concerted approach across the community. With this in mind, major collaborative initiatives gathering complementary strengths and skills will be fundamental if societal and environmental imperatives in this domain are to be met.
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| 7. |
- Capone, F. G., et al.
(författare)
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Operando observation of the dynamic SEI formation on a carbonaceous electrode by near-ambient pressure XPS
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Ingår i: Energy and Environmental Science. - 1754-5692.
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Tidskriftsartikel (refereegranskat)abstract
- The dynamic formation of chemical species composing the solid electrolyte interphase (SEI) layer at the surface of a carbonaceous electrode in a carbonate-based liquid electrolyte was observed in real-time using operando near-ambient pressure XPS (NAP-XPS). The potential of the glassy carbon electrode vs. metallic lithium was controlled during the XPS experiment. By following the binding energy shifts as a function of applied potential, we could identify the main SEI species and observe their deposition on the electrode surface during the formation of the SEI. These results demonstrate that NAP-XPS is a powerful tool to investigate the SEI formation and stability in Li- and post-Li-ion batteries, paving the way for future studies on the effect of electrolyte additives and solvent mixtures on battery performance.
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| 8. |
- Ismail, I., et al.
(författare)
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Experimental setup for the study of resonant inelastic X-ray scattering of organometallic complexes in gas phase
- 2018
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Ingår i: Review of Scientific Instruments. - : AMER INST PHYSICS. - 0034-6748 .- 1089-7623. ; 89:6
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Tidskriftsartikel (refereegranskat)abstract
- A new setup has been designed and built to study organometallic complexes in gas phase at the third-generation Synchrotron radiation sources. This setup consists of a new homemade computer-controlled gas cell that allows us to sublimate solid samples by accurately controlling the temperature. This cell has been developed to be a part of the high-resolution X-ray emission spectrometer permanently installed at the GALAXIES beamline of the French National Synchrotron Facility SOLEIL. To illustrate the capabilities of the setup, the cell has been successfully used to record high-resolution K alpha emission spectra of gas-phase ferrocene Fe(C5H5)(2) and to characterize their dependence with the excitation energy. This will allow to extend resonant X-ray emission to different organometallic molecules.
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| 9. |
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