Towards novel calcium battery electrolytes by efficient computational screening

Autor: Patrik Johansson, Vigneshwaran Thangavel, Rafael B. Araujo

Publikováno v: Energy Storage Materials

The development of Ca conducting electrolytes is key to enable functional rechargeable Ca batteries. The here presented screening strategy is initially based on a combined density functional theory (DFT) and conductor-like screening model for real so

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::805d780810a7c1efdb616dbbf7c92026

A three dimensional kinetic Monte Carlo model for simulating the carbon/sulfur mesostructural evolutions of discharging lithium sulfur batteries

Autor: Vigneshwaran Thangavel, Adelphe Matsiegui Mikala, Alexis Rucci, Matías Abel Oscar Quiroga, Oscar Xavier Guerrero, Alejandro A. Franco

Publikováno v: Energy Storage Materials
Energy Storage Materials, Elsevier, 2020, 24, pp.472-485. ⟨10.1016/j.ensm.2019.07.011⟩
Energy Storage Materials, 2020, 24, pp.472-485. ⟨10.1016/j.ensm.2019.07.011⟩
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

The carbon/sulfur composite cathodes of lithium sulfur batteries undergo mesostructural evolutions during discharge due to the dissolution/precipitation reactions of solid sulfur and Li2S. Furthermore, the cathode design and discharge parameters also

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b4e633502e9065b02e5690c17578ba3
https://hal.archives-ouvertes.fr/hal-03489282

Self-Organization of Electroactive Suspensions in Discharging Slurry Batteries: A Mesoscale Modeling Investigation

Autor: Vigneshwaran Thangavel, Diego del Olmo Diaz, Garima Shukla, Alejandro A. Franco

Publikováno v: ACS Applied Materials & Interfaces
ACS Applied Materials & Interfaces, 2017, 9 (21), pp.17882-17889. ⟨10.1021/acsami.7b02567⟩

International audience; We report a comprehensive modeling-based study of electroactive suspensions in slurry redox flow batteries undergoing discharge. A three-dimensional kinetic Monte Carlo model based on the variable step size method is used to d

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc15f66fd0ef209359f30b61f7ef95a7
https://pubmed.ncbi.nlm.nih.gov/28490174

A microstructurally resolved model for Li- S batteries assessing the impact of the cathode design on the discharge performance

Autor: Kan-Hao Xue, Mathieu Morcrette, Youcef Mammeri, Matías Abel Oscar Quiroga, Vigneshwaran Thangavel, Afef Mastouri, Alejandro A. Franco, Claude Guery, Patrik Johansson

Publikováno v: Journal of The Electrochemical Society
Journal of The Electrochemical Society, 2016, 163 (13), pp.A2817-A2829. ⟨10.1149/2.0051614jes⟩

International audience; This paper reports a discharge model for lithium sulfur (Li-S) battery cells, supported by a multi-scale description of the composite C/S cathode microstructure. The cathode is assumed to be composed of mesoporous carbon parti

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35b3ace4bd8a9b7220cfafa1c6d162e4
https://hal-u-picardie.archives-ouvertes.fr/hal-03611056/document

A Flexible Multiscale Simulation Platform of Rechargeable Batteries

Autor: Alejandro A. Franco, Amangeldi Torayev, Yinghui Yin, Garima Shukla, Mariem Maiza, Vigneshwaran Thangavel, Alexis Rucci, Alain Ngandjong

Publikováno v: ECS Meeting Abstracts. :523-523

We present here our most recent progress towards the development of an in house multiscale computational platform able to simulate electrochemical and transport mechanisms at multiple spatio-temporal scales in a wide diversity of rechargeable battery

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::92705c4594b1851c59e6f884ee1a3c49
https://doi.org/10.1149/ma2018-02/8/523