Graphane/Fluorographene Bilayer: Considerable C–H⋯F–C Hydrogen Bonding and Effective Band Structure Engineering.
Systematic density functional theory (DFT) computations revealed the existence of considerable C-H⋯F-C bonding between the experimentally realized graphane and fluorographene layers. The unique C-H⋯F-C bonds define the conformation of graphane/fluorographene (G/FG) bilayer and contribute to its stab...
| Publicado en: | Journal of the American Chemical Society Vol. 134; no. 27; pp. 11269 - 11276 |
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| Autores principales: | , , |
| Formato: | Artículo |
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American Chemical Society
7/11/2012
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=78021771&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 78021771 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 7/11/2012 vid: 134 iid: 27 pid: 997 pub: American Chemical Society artinfo: ui: 78021771 10.1021/ja3040416 ppf: 11269 ppct: 7 formats: tig: atl: Graphane/Fluorographene Bilayer: Considerable C–H⋯F–C Hydrogen Bonding and Effective Band Structure Engineering. aug: au: Yafei Li Fengyu Li Zhongfang Chen affil: Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, Rio Piedras Campus, San Juan, Puerto Rico 00931 su: Chemical research Graphene Chemical bonds Hydrogen bonding Carbon-hydrogen bonds Fluorine Density functionals Band gaps sug: subj: Chemical research Graphene Chemical bonds Hydrogen bonding Carbon-hydrogen bonds Fluorine Density functionals Band gaps ab: Systematic density functional theory (DFT) computations revealed the existence of considerable C-H⋯F-C bonding between the experimentally realized graphane and fluorographene layers. The unique C-H⋯F-C bonds define the conformation of graphane/fluorographene (G/FG) bilayer and contribute to its stability. Interestingly, G/FG bilayer has an energy gap (0.5 eV) much lower than those of individual graphane and fluorographene. The binding strength of G/FG bilayer can be significantly enhanced by applying appropriate external electric field (E-field). Especially, changing the direction and strength of E-field can effectively modulate the energy gap of G/FG bilayer, and correspondingly causes a semiconductor-metal transition. These findings open new opportunities in fabricating new electronics and opto-electronics devices based on G/FG bilayer, and call for more efforts in using weak interactions for band structure engineering. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2012 holdings: @attributes: islocal: N |
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