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Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures
https://repo.qst.go.jp/records/47925
https://repo.qst.go.jp/records/479251cb09fcb-7a32-4dfa-a3e5-da517fdd05d3
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2017-05-01 | |||||
| タイトル | ||||||
| タイトル | Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | journal article | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
アヴラモフ, パベル
× アヴラモフ, パベル× パベル, ソロキン× A., Kuzubov A.× 境, 誠司× 圓谷, 志郎× 楢本, 洋× アヴラモフ パベル× パベル ソロキン× 境 誠司× 圓谷 志郎× 楢本 洋 |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Extreme points on potential energy surfaces of Ni adatom on free-standing graphene and top:fcc and hcp:fcc graphene/Ni(111) heterostructures in ifferent spin states were studied using periodic boundary conditions density unctional theory approach. It was found that the spin states of the substrates strongly influence the energy of the Ni adatom extreme points on potential energy surface by decreasing (top:fcc heterostructure) or increasing (hcp:fcc heterostructure) the total energies of Z1, Z10, and Z2 Ni adatom coordinations on graphene. This phenomenon offers unique possibilities to control the potential energy surfaces of transition metal adatoms and promote surface chemical reactions using induced spin polarization of graphene substrates. | |||||
| 書誌情報 |
Australian Journal of Chemistry 巻 69, 号 7, p. 753-758, 発行日 2016-11 |
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| 出版者 | ||||||
| 出版者 | CSIRO Publishing | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1071/ch15174 | |||||
