Silicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applications

Handle URI:
http://hdl.handle.net/10754/621579
Title:
Silicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applications
Authors:
Zhu, Jiajie ( 0000-0002-1930-7884 ) ; Chroneos, Alexander; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Silicene is a promising electrode material for Li-ion batteries due to its high Li capacity and low Li diffusion barrier. Germanene is expected to show a similar performance due to its analogous structural and electronic properties. However, the performance of both the materials will be determined by the substrate, since freestanding configurations are unstable. We propose Si/MgX2 and Ge/MgX2 (X = Cl, Br, and I) as suitable hybrid structures, based on first-principles calculations. We find that Li will not cluster and that the Li capacity is very high (443 and 279 mA h g-1 for silicene and germanene on MgCl2, respectively). Sandwich structures can be used to further enhance the performance. Low diffusion barriers of less than 0.3 eV are predicted for all the hybrid structures. © The Royal Society of Chemistry 2016.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Zhu J, Chroneos A, Schwingenschlögl U (2016) Silicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applications. Nanoscale 8: 7272–7277. Available: http://dx.doi.org/10.1039/c6nr00913a.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Nanoscale
Issue Date:
15-Mar-2016
DOI:
10.1039/c6nr00913a
Type:
Article
ISSN:
2040-3364; 2040-3372
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr00913a
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorZhu, Jiajieen
dc.contributor.authorChroneos, Alexanderen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2016-11-03T08:32:34Z-
dc.date.available2016-11-03T08:32:34Z-
dc.date.issued2016-03-15en
dc.identifier.citationZhu J, Chroneos A, Schwingenschlögl U (2016) Silicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applications. Nanoscale 8: 7272–7277. Available: http://dx.doi.org/10.1039/c6nr00913a.en
dc.identifier.issn2040-3364en
dc.identifier.issn2040-3372en
dc.identifier.doi10.1039/c6nr00913aen
dc.identifier.urihttp://hdl.handle.net/10754/621579-
dc.description.abstractSilicene is a promising electrode material for Li-ion batteries due to its high Li capacity and low Li diffusion barrier. Germanene is expected to show a similar performance due to its analogous structural and electronic properties. However, the performance of both the materials will be determined by the substrate, since freestanding configurations are unstable. We propose Si/MgX2 and Ge/MgX2 (X = Cl, Br, and I) as suitable hybrid structures, based on first-principles calculations. We find that Li will not cluster and that the Li capacity is very high (443 and 279 mA h g-1 for silicene and germanene on MgCl2, respectively). Sandwich structures can be used to further enhance the performance. Low diffusion barriers of less than 0.3 eV are predicted for all the hybrid structures. © The Royal Society of Chemistry 2016.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://pubs.rsc.org/en/content/articlehtml/2016/nr/c6nr00913aen
dc.titleSilicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applicationsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalNanoscaleen
dc.contributor.institutionDepartment of Materials, Imperial College, London, United Kingdomen
dc.contributor.institutionFaculty of Engineering and Computing, Coventry University, Priory Street, Coventry, United Kingdomen
kaust.authorZhu, Jiajieen
kaust.authorSchwingenschlögl, Udoen
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