| dc.contributor.author | Canepa, Pieremanuele | |
| dc.contributor.author | Malik, Rahul | |
| dc.contributor.author | Liu, Miao | |
| dc.contributor.author | Persson, Kristin | |
| dc.contributor.author | Ceder, Gerbrand | |
| dc.contributor.author | Gopalakrishnan, Sai Gautam | |
| dc.date.accessioned | 2016-03-25T16:39:40Z | |
| dc.date.available | 2016-03-25T16:39:40Z | |
| dc.date.issued | 2015-07 | |
| dc.date.submitted | 2015-06 | |
| dc.identifier.issn | 1359-7345 | |
| dc.identifier.issn | 1364-548X | |
| dc.identifier.uri | http://hdl.handle.net/1721.1/101873 | |
| dc.description.abstract | A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V[subscript 2]O[subscript 5] is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li[superscript +], Mg[superscript 2+], Zn[superscript 2+], Ca[superscript 2+], and Al[superscript 3+] intercalation in the α and δ polymorphs. | en_US |
| dc.description.sponsorship | United States. Dept. of Energy. Office of Basic Energy Sciences. Joint Center for Energy Storage Research (Subcontract 3F-31144) | en_US |
| dc.language.iso | en_US | |
| dc.publisher | Royal Society of Chemistry | en_US |
| dc.relation.isversionof | http://dx.doi.org/10.1039/c5cc04947d | en_US |
| dc.rights | Creative Commons Attribution | en_US |
| dc.rights.uri | http://creativecommons.org/licenses/by/3.0/ | en_US |
| dc.source | Royal Society of Chemistry | en_US |
| dc.title | First-principles evaluation of multi-valent cation insertion into orthorhombic V[subscript 2]O[subscript 5] | en_US |
| dc.type | Article | en_US |
| dc.identifier.citation | Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin Persson, and Gerbrand Ceder. “ First-Principles Evaluation of Multi-Valent Cation Insertion into Orthorhombic V[subscript 2]O[subscript 5].” Chem. Commun. 51, no. 71 (2015): 13619–13622. © 2015 Royal Society of Chemistry | en_US |
| dc.contributor.department | Massachusetts Institute of Technology. Department of Materials Science and Engineering | en_US |
| dc.contributor.mitauthor | Gopalakrishnan, Sai Gautam | en_US |
| dc.contributor.mitauthor | Canepa, Pieremanuele | en_US |
| dc.contributor.mitauthor | Malik, Rahul | en_US |
| dc.relation.journal | Chem. Commun. | en_US |
| dc.eprint.version | Final published version | en_US |
| dc.type.uri | http://purl.org/eprint/type/JournalArticle | en_US |
| eprint.status | http://purl.org/eprint/status/PeerReviewed | en_US |
| dspace.orderedauthors | Gautam, Gopalakrishnan Sai; Canepa, Pieremanuele; Malik, Rahul; Liu, Miao; Persson, Kristin; Ceder, Gerbrand | en_US |
| dc.identifier.orcid | https://orcid.org/0000-0002-1303-0976 | |
| mit.license | PUBLISHER_CC | en_US |
