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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

21001 - Nano-materials (production and properties)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

129

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

7659-7666

Kód UT WoS článku

001463396500001

EID výsledku v databázi Scopus

2-s2.0-105003569706