{rfName}
Sl

Indexed in

License and Use

Icono OpenAccess

Analysis of institutional authors

Kuhn, AloisAuthorGarcia-Alvarado, FlavianoAuthor

Share

November 12, 2025
Publications
>
Article
Sí

Slab-Gliding-Induced Structural Evolution in β-V2O5 Enables Reversible High Na-Ion Storage: A Combined Operando Synchrotron Diffraction and Operando XAS Study

Publicated to: CHEMISTRY OF MATERIALS. 37 (21): 8649-8663 - 2025-11-11 37(21), DOI: 10.1021/acs.chemmater.5c01520

Authors:

Cordoba, R; Goclon, J; Sarapulova, A; Maibach, J; Dsoke, S; Garcia-Gonzalez, E; Fauth, F; Kuhn, A; Garcia-Alvarado, F
[+]

Affiliations

CELLS ALBA Synchrotron, Cerdanyola Del Valles 08290, Barcelona, Spain - Author
Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden - Author
Fraunhofer Inst Solar Energy Syst, Dept Elect Energy Storage, D-79110 Freiburg, Germany - Author
Freiburg Mat Res Ctr FMF, D-79104 Freiburg, Germany - Author
Karlsruhe Inst Technol KIT, Inst Appl Mat IAM, D-76344 Eggenstein Leopoldshafen, Germany - Author
Univ Bialystok, Fac Chem, PL-15245 Bialystok, Poland - Author
Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Inorgan, Madrid 28040, Spain - Author
Univ San Pablo CEU, CEU Univ, Fac Farm, Dept Quim & Bioquim,Urbanizac Monteprincipe, Boadilla Del Monte 28668, Madrid, Spain - Author
See more

Abstract

High-pressure beta-V2O5 is a positive electrode material for sodium-ion batteries offering a remarkable high capacity of similar to 150 mAh g-1. Despite its attractive electrochemical properties and interesting crystal chemistry due to the existence of several sodiated phases, the sodium intercalation mechanism that provides reversible insertion is still largely unclear. In this work, we conducted a comprehensive investigation of the structural evolution, oxidation state and local structural changes of high-pressure beta-V2O5 during sodium intercalation. Operando synchrotron diffraction and operando X-ray absorption spectroscopy together with X-ray photoelectron spectroscopy, reveal the reversibility of sodium (de)intercalation and allowed us to gain a complete picture of the crystal structure evolution and oxidation state changes during cycling. A full crystal structure determination of the sodiated phases Na x V2O5 (0 P21/m, during sodium intercalation, driven by the facile slab-gliding of V2O5 layers along the crystallographic b direction to accommodate varying amounts of sodium ions. This storage mechanism was further supported with first-principles density functional theory (DFT) calculations.
[+]

Keywords

Cathode materialsDiffusionElectrodeIntercalationLithium batteriesPowder diffractionSodium insertionV2o5 polymorphsVanadium pentoxideX-ray

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal CHEMISTRY OF MATERIALS due to its progression and the good impact it has achieved in recent years, according to the agency WoS (JCR), it has become a reference in its field. In the year of publication of the work, 2025, it was in position 102/461, thus managing to position itself as a Q1 (Primer Cuartil), in the category Materials Science, Multidisciplinary.

[+]

Impact and social visibility

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.
[+]

Leadership analysis of institutional authors

This work has been carried out with international collaboration, specifically with researchers from: Germany; Poland; Sweden.

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Córdoba, Rafael) and Last Author (GARCIA ALVARADO, FLAVIANO).

the author responsible for correspondence tasks has been Córdoba, Rafael.

[+]

Project objectives

Los objetivos perseguidos en esta aportación se centran en profundizar en el mecanismo de intercalación de sodio en beta-V2O5 para baterías de ion sodio. Se pretende analizar la evolución estructural del beta-V2O5 bajo intercalación de sodio mediante técnicas operando sincrotrón y espectroscopía de absorción de rayos X. Evaluar los cambios en el estado de oxidación y la estructura local durante el ciclo de carga y descarga. Determinar la reversibilidad del proceso de (des)intercalación de sodio y caracterizar las fases sodiadas Na x V2O5 (0 < x < 1) mediante difracción operando. Finalmente, validar mediante cálculos de teoría del funcional de la densidad (DFT) el mecanismo de almacenamiento basado en el deslizamiento de capas a lo largo de la dirección cristalográfica b.
[+]

Awards linked to the item

We thank MCIN/AEI/10.13039/501100011033/FEDER-UE for funding the projects PID2022-139039OB-C21 and PID2022-139039OB-C22; and AEI/10.13039/501100011033/Union Europea Next Generation EU/PRTR for funding the project TED2021-129427B-I00. A Financial support from Universidad San Pablo is also acknowledged. Rafael Cordoba wants to thank AEI and European Social fund/UE for the predoctoral grant BES-2017-080862. This work contributes to the research performed at the Center for Electrochemical Energy Storage Ulm-Karlsruhe (CELEST) and was partially funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy-EXC 2154-Project number 390874152 (POLiS Cluster of Excellence). We thank Jose Manuel Gallardo-Amores (High-pressure Laboratory, Universidad Complutense de Madrid) and Maria Jose Torralvo Fernandez (Department of Inorganic Chemistry, Universidad Complutense de Madrid) for the synthesis of beta-V2O5 and BET experiments, respectively. We thank the National Center for Electron Microscopy (CNME) at Universidad Complutense de Madrid, for support and access to instrumental facilities. The synchrotron diffraction experiments at ALBA were funded through a proposal with reference number 2018093055. We acknowledge DESY synchrotron, a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at PETRA III beamline P65. Beamtime was allocated for proposal(s) I-20200899. The operando XAS work was performed by using the Biologic potentiostat of PETRA-III beamline P02.1. We would like to thank Dr. Edmund Welter from Experiments Division at DESY for the technical support. This work was partly carried out with the support of the Karlsruhe Nano Micro Facility (KNMFi, www.knmf.kit.edu), a Helmholtz Research Infrastructure at Karlsruhe Institute of Technology (KIT, www.kit.edu). We gratefully acknowledge Polish high-performance computing infrastructure PLGrid (HPC Center: ACK Cyfronet AGH) for providing computer facilities and support within computational grant no. PLG/2022/015728.
[+]