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Electronic Properties and Mechanical Stability of Multi-Ion-Co-Intercalated Bilayered V2O5

التفاصيل البيبلوغرافية
العنوان: Electronic Properties and Mechanical Stability of Multi-Ion-Co-Intercalated Bilayered V2O5
المؤلفون: Chunhui Ma, Bo Zhou
المصدر: Materials, Vol 17, Iss 13, p 3364 (2024)
بيانات النشر: MDPI AG, 2024.
سنة النشر: 2024
المجموعة: LCC:Technology
LCC:Electrical engineering. Electronics. Nuclear engineering
LCC:Engineering (General). Civil engineering (General)
LCC:Microscopy
LCC:Descriptive and experimental mechanics
مصطلحات موضوعية: bilayer V2O5, first-principles study, electrode materials, Technology, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Engineering (General). Civil engineering (General), TA1-2040, Microscopy, QH201-278.5, Descriptive and experimental mechanics, QC120-168.85
الوصف: Incorporating metal cations into V2O5 has been proven to be an effective method for solving the poor long-term cycling performance of vanadium-based oxides as electrodes for mono- or multivalent aqueous rechargeable batteries. This is due to the existence of a bilayer structure with a large interlayer space in the V2O5 electrode and to the fact that the intercalated ions act as pillars to support the layered structure and facilitate the diffusion of charged carriers. However, a fundamental understanding of the mechanical stability of multi-ion-co-intercalated bilayered V2O5 is still lacking. In this paper, a variety of pillared vanadium pentoxides with two types of co-intercalated ions were studied. The root-mean-square deviation of the V-O bonds and the elastic constants calculated by density functional theory were used as references to evaluate the stability of the intercalated compounds. The d-band center and electronic band structures are also discussed. Our theoretical results show that the structural characteristics and stability of the system are quite strongly influenced by the intercalating strategy.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 1996-1944
Relation: https://www.mdpi.com/1996-1944/17/13/3364; https://doaj.org/toc/1996-1944
DOI: 10.3390/ma17133364
URL الوصول: https://doaj.org/article/44953ae940b544eaaa628b9f3cb0db3b
رقم الأكسشن: edsdoj.44953ae940b544eaaa628b9f3cb0db3b
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:19961944
DOI:10.3390/ma17133364