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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science

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Negatively curved carbon as the anode for lithium ion batteries

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dc.contributor.author Odkhuu, Dorj ko
dc.contributor.author Jung, Dong Hyun ko
dc.contributor.author Lee, Hosik ko
dc.contributor.author Han, Sang Soo ko
dc.contributor.author Choi, Seung-Hoon ko
dc.contributor.author Ruoff, Rodney S. ko
dc.contributor.author Park, Noejung ko
dc.date.available 2014-04-10T02:36:26Z -
dc.date.created 2013-09-23 ko
dc.date.issued 2014-01 ko
dc.identifier.citation CARBON, v.66, pp.39 - 47 ko
dc.identifier.issn 0008-6223 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/4093 -
dc.description.abstract The inclusion of heptagonal, octagonal, or larger rings in an sp2-bonded carbon network introduces negative Gaussian curvature that can lead to a high network porosity. Here we investigated a particular negatively curved nonplanar sp2-carbon structure namely 688P schwarzite, with a view toward the possible use of negatively curved carbons as lithium ion battery anodes. Our first principles calculations show that the presence of pores in schwarzites can lead to three-dimensional Li ion diffusion paths with relatively small energy barriers. We calculated the binding energy of Li (which donates 1 electron to the schwarzite) in different positions in the schwarzite structure, and the open-circuit voltage (OCV) with respect to Li metal and found that this schwarzite has a positive OCV for a Li concentration as high as LiC4. The advantages of the particular schwarzite studied here for use as an anode are expected to be present in other sp2-bonded carbon networks that feature large polygonal rings. ko
dc.description.statementofresponsibility close -
dc.language 영어 ko
dc.publisher PERGAMON-ELSEVIER SCIENCE LTD ko
dc.title Negatively curved carbon as the anode for lithium ion batteries ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-84886776730 ko
dc.identifier.wosid 000327575200005 ko
dc.type.rims ART ko
dc.description.wostc 0 *
dc.description.scopustc 0 *
dc.date.tcdate 2014-10-18 *
dc.date.scptcdate 2014-07-12 *
dc.identifier.doi 10.1016/j.carbon.2013.08.033 ko
dc.identifier.url http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84886776730 ko
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