Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 정용재 | - |
dc.date.accessioned | 2018-07-25T02:38:18Z | - |
dc.date.available | 2018-07-25T02:38:18Z | - |
dc.date.issued | 2011-06 | - |
dc.identifier.citation | Japanese Journal of Applied Physics,Vol.50 , No.6 [2011],pp06GJ02 | en_US |
dc.identifier.issn | 0021-4922 | - |
dc.identifier.issn | 1347-4065 | - |
dc.identifier.uri | http://iopscience.iop.org/article/10.1143/JJAP.50.06GJ02/meta | - |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/72845 | - |
dc.description.abstract | Based on first-principles plane wave calculations, it has been shown that boron-substituted graphene with Li metal atom adsorption can be used as a high-capacity hydrogen storage material. Boron substitution in graphene increases Li and Ni metal adsorption energy, which is much larger than that in pure graphene. The diffusion characteristics of metal atoms were also investigated. The diffusion energy barrier of Ni metal is stronger than that of Li metal, but the cohesive energy of Ni bulk is much larger. Then, the large-scale metal adsorption behavior on boron-substituted graphene was calculated by the molecular dynamics (MD) method. Moreover, hydrogen adsorption behavior on Li metal atoms is investigated. It is found that Li and Ni adatoms dispersed on the double side of graphene can absorb up to eight hydrogen molecules corresponding to 13.2 and 7.9% hydrogen storage capacities, respectively. | en_US |
dc.description.sponsorship | This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (No. 2010-0023761) and was also partially supported by the Manpower Development Program for Energy and Resources supported by the Ministry of Knowledge and Economy (MKE, No. 200900000000386). | en_US |
dc.language.iso | en | en_US |
dc.publisher | JAPAN SOCIETY OF APPLIED PHYSICS | en_US |
dc.title | Adsorption and Diffusion of Li and Ni on Graphene with Boron Substitution for Hydrogen Storage: Ab-initio Method | en_US |
dc.type | Article | en_US |
dc.relation.volume | 50 | - |
dc.identifier.doi | 10.1143/JJAP.50.06GJ02 | - |
dc.relation.page | 06GJ02-1-06JG02-4 | - |
dc.relation.journal | JAPANESE JOURNAL OF APPLIED PHYSICS | - |
dc.contributor.googleauthor | Park, Hong-Lae | - |
dc.contributor.googleauthor | Yoo, Dong Su | - |
dc.contributor.googleauthor | Chung, Yong-Chae | - |
dc.relation.code | 2011217131 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF ENGINEERING[S] | - |
dc.sector.department | DIVISION OF MATERIALS SCIENCE AND ENGINEERING | - |
dc.identifier.pid | yongchae | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.