An ab initio study of the interaction between an iron atom and graphene containing a single Stone-Wales defect

Journal of Physics Condensed Matter

Volumn 21, Issue 48, 2009, Pages

  Wang, Q E ^a   Wang, F H ^a   Shang, J X ^b   Zhou, Y S ^a  

^a CAPITAL NORMAL UNIVERSITY   (China)

^b BEIHANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO STUDY; ADSORBED SYSTEM; CARBON ATOMS; CONDUCTION-BAND MINIMUM; DEFECT-FREE; DENSITY-FUNCTIONAL CALCULATIONS; GAP STATE; GRAPHENE SHEETS; GRAPHENES; IRON ATOMS; LOCAL MAGNETIC MOMENTS; SPIN-POLARIZED; STONE-WALES DEFECTS; STRONG INTERACTION; VALENCE-BAND MAXIMUMS;

ADSORPTION; BINDING ENERGY; DEFECT DENSITY; DEFECTS; ELECTRON MOBILITY; GRAPHITE; MAGNETIC MOMENTS;

ATOMS;

EID: 72449203267     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/48/485506     Document Type: Article

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