Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F25%3A43933393" target="_blank" >RIV/60461373:22310/25:43933393 - isvavai.cz</a>
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.4c08618?ref=pdf" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.4c08618?ref=pdf</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.4c08618" target="_blank" >10.1021/acs.jpcc.4c08618</a>

Result language
angličtina
Original language name
Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage
Original language description
Phosphorus (P) is a ubiquitous component of materials for energy conversion and storage. Despite the effectiveness of soft X-ray emission spectroscopy (XES) to characterize these complex materials, XES studies of P-containing compounds are still largely missing. In this investigation, the electronic structure and XES signatures from the P L2,3-edge are probed for nine solid-state P-containing compounds characterized by various oxidation states and chemical environments: GaP(3−), InP(3−), red-P(0), H3P(3+)O3, Na2H2P2(4+)O6, H3P(5+)O4, KH2P(5+)O4, Na2HP(5+)O4, and InP(5+)O4. The XES spectrum of each material exhibits distinct spectral fingerprints, which provide a robust basis for the speciation of complex P-containing samples. Density functional theory calculations shed light on the electronic structure of selected materials and particularly on the effect of phosphorus–oxygen hybridization. This study provides a comprehensive understanding of P L2,3 XES spectral fingerprints across a wide range of oxidation states and chemical environments. These data sets and insights pave the way for dedicated future work, such as in situ and operando investigations of P-containing compounds in energy-related applications, where speciation of P compounds is needed.
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
21001 - Nano-materials (production and properties)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)