Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments

	Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments
	Gao, XF; Wang, L; Ohtsuka, Y; Jiang, DE; Zhao, YL; Nagase, S; Chen, ZF; Zhao YL(赵宇亮)
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	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
内容类型	期刊论文
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.