Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional theory calculations to investigate the interaction of Ca, Mg, Na or Li atoms with single-layer and free-standing borophene...

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Bibliographic Details

Published in:	Journal of power sources Vol. 329; pp. 456 - 461
Main Authors:	Mortazavi, Bohayra, Dianat, Arezoo, Rahaman, Obaidur, Cuniberti, Gianaurelio, Rabczuk, Timon
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 15.10.2016
Subjects:	2D material Batteries Borophene First-principles Li ions Modelling Borophene Modelling Batteries 2D material Li ions First-principles
ISSN:	0378-7753, 1873-2755
Online Access:	Get full text
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