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  • 刘新 ( 副教授 )

    的个人主页 http://faculty.dlut.edu.cn/xliu/en/index.htm

  •   副教授   博士生导师   硕士生导师
论文成果 当前位置: 中文主页 >> 科学研究 >> 论文成果
Regioselectivity control of graphene functionalization by ripples

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论文类型:期刊论文
发表时间:2011-01-01
发表刊物:PHYSICAL CHEMISTRY CHEMICAL PHYSICS
收录刊物:SCIE、Scopus
卷号:13
期号:43
页面范围:19449-19453
ISSN号:1463-9076
摘要:Ripples naturally occur in graphene sheets. First-principles calculations reveal that, by altering the pyramidalization angles of the carbon atoms, these ripples can be used to direct the chemical reactivity of graphene towards hydrogenation. A fraction of the carbon atoms of a rippled graphene, located around the crests and troughs, show significantly increased reactivity. The remaining carbon atoms have comparable reactivity to those in a flat graphene. To illustrate the increased reactivity, we show that hydrogenation becomes exothermic when the characteristic ratio between the amplitude and wavelength reaches similar to 0.55. This finding offers a practical chemical venue for regioselectivity control of graphene functionalization. While the rippling does not directly affect the band gap of the graphene, the rippling-induced hydrogenation does.

 

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