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

Wibowo RE, Garcia-Diez R, van der Merwe M, Duarte-Ruiz D, Ha Y, Yang W, Prokop M, Bystron T, Wilks RG, Cocchi C, Bär M (2025)

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Publication Type: Journal article

Publication year: 2025

Journal

DOI: 10.1021/acs.jpcc.4c08618

Abstract

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.

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How to cite

APA:

Wibowo, R.E., Garcia-Diez, R., van der Merwe, M., Duarte-Ruiz, D., Ha, Y., Yang, W.,... Bär, M. (2025). Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.4c08618

MLA:

Wibowo, Romualdus Enggar, et al. "Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage." Journal of Physical Chemistry C (2025).

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