Uncovering the remarkable electrochemical performance of B2N2 monolayer as a promising candidate for Mg-ion batteries

doi:10.1016/j.comptc.2023.114258

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Title:	Uncovering the remarkable electrochemical performance of B2N2 monolayer as a promising candidate for Mg-ion batteries
Authors:	Hsu, Chou-Yi Adhab, Ayat Hussein Thabit, Daha Saraswat, Shelesh Krishna Mohealdeen, Sura Mohammad Lagum, Abdelmajeed Adam Al-Maabreh, Alaa M. Alawideh, Samer Sharma, Saroj
Contributors:	Chia Nan Univ Pharm & Sci, Dept Pharm Al Zahrawi Univ Coll, Dept Pharm Al Farahidi Univ, Med Tech Coll GLA Univ, Dept Elect & Commun Engn Al Noor Univ Coll, Dept Radiol & Sonar Tech Isra Univ, Dept Civil Engn Isra Univ, Fac Sci, Dept Chem Govt Nagarjuna PG Coll Sci, Dept Chem
Keywords:	Mg-ion battery Specific capacity Diffusion barrier
Date:	2023
Issue Date:	2024-12-25 11:04:30 (UTC+8)
Publisher:	ELSEVIER
Abstract:	Nowadays, owing to their potential applications in next-generation self-powered electronic devices, such as energy-harvesting smart garments from body movements and roll-up displays, electrochemical energy storages are enjoying considerable interest. Nonetheless, the development of such technologies has been hindered due to the rarity of high-efficacy electrodes with specific electrochemical performance. Amongst prospective electrodes, researchers have investigated 2D flexible and lightweight materials which have unique physiochemical attributes such as high conductance, high surface metal diffusivity, a hydrophilic surface and mechanical strength. Within this piece of research, a 2D orthorhombic di-boron di-nitride monolayer (o-B2N2ML), which is a boron nitride allotrope, was investigated. Moreover, several determining electronic chemical factors were investigated, such as theoretical capacity, equilibrium voltage and binding strength. Interestingly, the Mg-ion battery had a specific capacity of up to 1125 mAh.g  1. Also, the diffusion of Mg-ions was accelerated due to the presence of a o-B2N2 ring with a diffusion barrier (DB) of 0.26 eV. The low OCV and the low DB of the o-B2N2ML demonstrate that it can be used for practical purposes with long service life and fast rates of charge and discharge. The results also indicated the possible use of the o-B2N2ML as an anode material with high efficiency in MIBs.
Relation:	Computational and Theoretical Chemistry, v.1228, Article 114258
Appears in Collections:	[Offices] 456

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