Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments
文献类型：期刊论文
| 作者 | Gao, XF ; Wang, L; Ohtsuka, Y; Jiang, DE; Zhao, YL; Nagase, S; Chen, ZF; Zhao YL(赵宇亮)
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| 刊名 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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| 出版日期 | 2009 |
| 卷号 | 131期号:28页码:9663-9669 |
| 通讯作者 | [Gao, Xingfa ; Wang, Lu ; Ohtsuka, Yuhki ; Nagase, Shigeru] Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan ; [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, MS6201, Oak Ridge, TN 37931 USA ; [Zhao, Yuliang] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100191, Peoples R China ; [Zhao, Yuliang] Natl Ctr Nanosci & Technol China, Beijing 100080, Peoples R China ; [Chen, Zhongfang] Univ Puerto Rico, Dept Chem, Inst Funct Nanomat, San Juan, PR 00931 USA |
| 英文摘要 | When an all-benzenoid nanographene is linearly unzipped into oxygen-joined fragments, the oxidized benzenoid rings (aromatic sextets) selectively adopt the low-spin (Delta S = 0) or high-spin conformation (Delta S = 1) to yield the thermally most stable isomer. The selection of the conformation depends simply on the position of the aromatic sextets: the inner ones prefer the high-spin conformation, whereas the peripheral ones prefer the low-spin conformation. Therefore, the resulting most stable isomer has a total spin whose value equals the number of inner aromatic sextets (n(i)) along the oxidizing line. The nanographene fragments contained in this isomer have a ferromagnetic spin coupling. Due to the tautomerization between the high-spin and low-spin conformations, there also exist other possible isomers with higher energies and with spins at ground state ranging from 0 to (n(i) - 1). The rich geometrically correlated spins and the adjustable energy gaps indicate great potential of the graphene oxides in spintronic devices. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000268399800027 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/240161]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Gao, XF,Wang, L,Ohtsuka, Y,et al. Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2009,131(28):9663-9669. |
| APA | Gao, XF.,Wang, L.,Ohtsuka, Y.,Jiang, DE.,Zhao, YL.,...&赵宇亮.(2009).Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,131(28),9663-9669. |
| MLA | Gao, XF,et al."Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131.28(2009):9663-9669. |
入库方式： OAI收割
来源：高能物理研究所
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