Patterning Nanoroads and Quantum Dots on Fluorinated Graphene

被引:119
作者
Ribas, Morgana A. [1 ,2 ]
Singh, Abhishek K. [1 ,2 ,3 ]
Sorokin, Pavel B. [1 ,2 ]
Yakobson, Boris I. [1 ,2 ]
机构
[1] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA
[2] Rice Univ, Dept Chem, Houston, TX 77005 USA
[3] Indian Inst Sci, Ctr Mat Res, Bangalore 560012, Karnataka, India
关键词
Graphene; fluorinated graphene; fluorographene; nanoroads; quantum dots; WALL CARBON NANOTUBES; AUGMENTED-WAVE METHOD; FEW-LAYER GRAPHENE; GRAPHITE FLUORIDE; MOLECULAR-DYNAMICS; NANORIBBONS; CHEMISTRY; GRAPHANE; INTERCALATION; MONOFLUORIDE;
D O I
10.1007/s12274-010-0084-7
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using ab initio methods we have investigated the fluorination of graphene and find that different stoichiometric phases can be formed without a nucleation barrier, with the complete "2D-Teflon" CF phase being thermodynamically most stable. The fluorinated graphene is an insulator and turns out to be a perfect matrix-host for patterning nanoroads and quantum dots of pristine graphene. The electronic and magnetic properties of the nanoroads can be tuned by varying the edge orientation and width. The energy gaps between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO) of quantum dots are size-dependent and show a confinement typical of Dirac fermions. Furthermore, we study the effect of different basic coverage of F on graphene (with stoichiometries CF and C4F) on the band gaps, and show the suitability of these materials to host quantum dots of graphene with unique electronic properties.
引用
收藏
页码:143 / 152
页数:10
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