Roadmap for the development of transition metal oxide cathodes for rechargeable zinc-ion batteries
Notice bibliographique
Résumé
Rechargeable zinc-ion batteries (RZIBs) are a promising multivalent battery technology for grid-scale energy storage applications, thanks to their abundant materials, lower environmental impact, and higher safety due to the use of aqueous electrolytes as compared to lithium-based batteries. However, there is still a lack of cathode materials with suitable stability and performance for reliable implementation in these energy storage applications. In this study, we have utilized readily available thermodynamic properties obtained from first-principle atomistic simulations to calculate the intercalation potential of zinc in numerous potential candidate cathode materials. We confined our chemical space to simple transition metal oxides (MxOy, where M is a transition metal). While some materials in this class were previously experimentally studied (e.g., MnO2, V2O5, MoO3), a literature survey revealed multiple oxides for which no prior investigation on their use as cathodes for RZIBs had been performed. We considered previously reported structures with similar atomic arrangements for the charged and discharged phases, the feasibility of experimental realization of the materials, the electrochemical stability of the charged cathode in an aqueous environment, and the potential degradation of aqueous electrolytes in our analysis. We mapped the zinc intercalation potential for over 50 redox pairs involving oxides of 12 different elements. These calculated theoretical potentials were then compared to previously obtained experimental results, with the relatively small difference between them (mean absolute error of 0.11 V) demonstrating the predictive capabilities of the utilized methodology. The failure mechanism for the experimentally observed capacity fade was determined from the electrochemical stability analysis to be related to the dissolution of the transition metal during battery cycling. Fully stable transition metals in the RZIBs potential and pH operating conditions were discovered and proposed for use as alloying elements in RZIBs cathodes to improve the capacity retention. Previously overlooked materials with high intercalation potential (above 1.6 V vs Zn/Zn2+) were then proposed as cathode materials for RZIBs. The Zn2+ intercalation potential mapping and electrochemical stability analysis for the oxide redox pairs achieved in this study provides a roadmap for future experimental investigations of novel cathode materials for RZIBs.
Récupéré en direct depuis OpenAlex et désinversé. Les résumés ne sont pas conservés dans cette base de données : les index inversés représentent 8,6 Go des 9,3 Go de texte de la base, et le serveur dispose de 13 Go libres.
Comment cette classification a été obtenuedéplier
Prédiction distillée sur la base complète
Imitation des enseignantsNi prévalence calibrée, ni vérité terrain. Validation humaine à venir. Apprise à partir de 10 348 étiquettes directes de Codex et de 10 348 étiquettes directes de Gemma. Le mode candidate est l'union des têtes enseignantes seuillées; le consensus est leur intersection. Ces sorties portent le statut machine_predicted_unvalidated et ne sont ni des étiquettes humaines ni des étiquettes directes de modèles de pointe.
Scores Codex et Gemma par catégorie
| Catégorie | Codex | Gemma |
|---|---|---|
| Métarecherche | 0,000 | 0,000 |
| Méta-épidémiologie (sens strict) | 0,000 | 0,000 |
| Méta-épidémiologie (sens large) | 0,000 | 0,000 |
| Bibliométrie | 0,000 | 0,000 |
| Études des sciences et des technologies | 0,000 | 0,000 |
| Communication savante | 0,000 | 0,000 |
| Science ouverte | 0,000 | 0,000 |
| Intégrité de la recherche | 0,000 | 0,000 |
| Charge utile insuffisante (le modèle a refusé de juger) | 0,000 | 0,000 |
Scores machine (provisoires)
Les deux têtes enseignantes du modèle étudiant, lues sur ce travail. Un score ordonne la base pour la relecture; il n'affirme jamais une catégorie, et le statut de validation accompagne chaque rangée tel quel.
Scores de référence d'un modèle non mature (critères de maturité non atteints, 7 itérations). Un score ordonne; il n'affirme jamais une catégorie.
score_only:v0-immature-baseline · tel quel depuis la passe de notation : score_only signifie que le nombre peut ordonner les travaux, et qu'aucune étiquette de catégorie n'en découleClassification
machine, non validéePrédiction automatique; un appel candidat d’une seule tête enseignante, pas un consensus.
Le détail, modèle par modèle et score par score, se trouve en fin de page sous « Comment cette classification a été obtenue ».