Insights into the stability of magnesium borate salts for rechargeable magnesium batteries from AIMD simulations

Autor:	Shuxin Zhang, Mingxiang Cheng, Peng Zhang, Yaru Wang, Duo Zhang, Yang Yang, Jiulin Wang, Yanna NuLi
Rok vydání:	2022
Předmět:	Materials Chemistry Metals and Alloys Ceramics and Composites General Chemistry Catalysis Surfaces Coatings and Films Electronic Optical and Magnetic Materials
Zdroj:	Chemical communications (Cambridge, England). 58(85)
ISSN:	1364-548X
Popis:	We present AIMD simulations for the stability of boron-center salts, Mg[B(Ohfip)4]2 and Mg[B(Otfe)4]2, compared to Mg(TFSI)2, and provide a visible reaction process at the atomic level.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c52b9223f4b901a5de591c90042428c9 https://pubmed.ncbi.nlm.nih.gov/36205536 Zobrazit plný text záznamu