Chemical Communications · 2014 · 122 citations · 38 references
Natural SciencesChemistryMaterials ScienceNanomaterialsNanotechnologySurface ChemistryCarbon NanomaterialsDensity Functional TheoryMolecular BondingScanning Probe MicroscopySurface Functionalization Of NanomaterialsSurface PhysicsAtomic-scale Surface ImagingC - H Activation Cross-couplingC - H Bond FunctionalizationC-h Bond ActivationCarbon-based NanomaterialsScanning Tunneling SpectroscopySurface Chemistry Of Carbon Nanomaterials
Through the interplay of high-resolution scanning tunneling microscopy (STM) imaging/manipulation and density functional theory (DFT) calculations, we have demonstrated that an unprecedented selective aryl-aryl coupling via direct C-H bond activation can be successfully achieved on Cu(110). These findings present a simple and generalized route for preparing low dimensional carbon nanomaterials.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17