J Phys Chem C Nanomater Interfaces
October 2024
Phonons play a crucial role in thermalization and non-radiative recombination losses in semiconductors, impacting the power conversion efficiency of solar cells. To shed light on the lattice dynamics in CuZnSn(S ,Se ) (CZTSSe) thin-film solar cells and validate the extensive number of theoretical studies, we determine the Sn-partial phonon density of states (Sn-PDOS) by nuclear inelastic X-ray scattering. CZTSSe-based devices, one with near-stoichiometric and two with off-stoichiometric compositions, are investigated, and the results are correlated with the corresponding power conversion efficiencies (PCEs) of 3.
View Article and Find Full Text PDFDimethyl sulfoxide (DMSO) is an important polar solvent that derives its unique properties from the lone pair and the strong polar bond at the sulfinyl functional group. To derive the local and symmetry-resolved electronic structure of liquid DMSO, we have used resonant inelastic soft X-ray scattering (RIXS) maps at the S L, C K, and O K edges. The experimental data are compared to calculations of spectra based on density functional theory, which allows a detailed analysis of the molecular orbitals throughout the molecule.
View Article and Find Full Text PDFThe hybridization state in solids often defines the critical chemical and physical properties of a compound. However, it is difficult to spectroscopically detect and evaluate hybridization beyond just general fingerprint signatures. Here, the valence-band hybridization of metal d-derived bands (short: "metal d bands") in selected metal sulphides is studied with a combined spectroscopic and theoretical approach to derive deeper insights into the fundamental nature of such compounds.
View Article and Find Full Text PDFObjective: To investigate the impact of the Nutrition and Culinary in the Kitchen (NCK) Program on the cooking skills of Brazilian individuals with type 2 diabetes mellitus (T2DM).
Methods: A randomized controlled intervention study was performed, with intervention and control groups. The intervention group participated in weekly sessions of the NCK Program for six weeks (including two in-person practical cooking and three online cooking workshops).