Core-Level Spectroscopy with Hard and Soft X‑rays on Phosphorus-Containing Compounds for Energy Conversion and Storage
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F23%3A43927935" target="_blank" >RIV/60461373:22310/23:43927935 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.jpcc.3c04704" target="_blank" >https://doi.org/10.1021/acs.jpcc.3c04704</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.3c04704" target="_blank" >10.1021/acs.jpcc.3c04704</a>
Alternative languages
Result language
angličtina
Original language name
Core-Level Spectroscopy with Hard and Soft X‑rays on Phosphorus-Containing Compounds for Energy Conversion and Storage
Original language description
The electronic properties of nine solid phosphorus (P)containing compounds with varying oxidation states and chemical environments, including GaP(‑III), InP(‑III), red-P(0), H3P(III)O3, Na2H2P2(IV)O6, H3P(V)O4, KH2P(V)O4, Na2HP(V)O4, and InP(V)O4, are investigated using X-ray absorption near-edge structure (XANES) spectroscopy in the hard (P K-edge) and soft X-ray regime (P L2,3edge). We find shifts in the absorption-edge positions and correlate them with the ligands surrounding the P atom, likely causing a different core−hole interaction screening for different compounds. Complementing the experimental analysis, ab initio many-body calculations of XANES spectra provide insights into the excitonic nature of the observed spectral features and their impact on the electronic structure of the materials. Furthermore, we report on P K-edge XANES measurements on aqueous phosphorus-containing acids, including H3PO3, H3PO4, and their mixtures. At first sight, the spectra of the aqueous acids are similar to those of their solid counterparts. However, close inspection reveals a slight red shift of the absorption edge and the presence of fewer spectral features compared with spectra of the respective solids. Mixtures of aqueous acids display spectral features corresponding to the individual components, indicating the potential for speciation and quantification through fingerprinting.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Result continuities
Project
<a href="/en/project/GF22-23668K" target="_blank" >GF22-23668K: Pt-based intermetallic alloy catalysts for improved performance of high-temperature PEM fuel cells with reduced Pt loading</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
1932-7455
Volume of the periodical
127
Issue of the periodical within the volume
42
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
20582-20593
UT code for WoS article
001090663900001
EID of the result in the Scopus database
2-s2.0-85177237332