Structure- and adatom-enriched essential properties of graphene nanoribbons

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Content: 1 Introduction 52 The rst-principles method and experimental instruments 162.1 Theoretical calculations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.2 Experimental instruments . . . . . . . . . . . . . . . . . . . . . . . . . . . . 193 Monolayer graphene nanoribbons 273.1 Armchair systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 303.2 Zigzag systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 354 Curved and Zipped graphene nanoribbons 444.1 Curved nanoribbons . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 454.2 Carbon nanotubes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 525 Folded graphene nanoribbons 595.1 The rich geometric structures . . . . . . . . . . . . . . . . . . . . . . . . . . 605.2 The unusual electronic and magnetic properties . . . . . . . . . . . . . . . . 636 Carbon nanoscrolls 696.1 The optimal geometries . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 706.2 Electronic properties and magnetic con gurations . . . . . . . . . . . . . . . 736.3 Comparisons among the planar, curved/zipped, folded and scrolled systems . 767 Bilayer graphene nanoribbons 787.1 Stacking-enriched geometric structures and magnetic con gurations . . . . . 797.2 Diverse electronic properties . . . . . . . . . . . . . . . . . . . . . . . . . . . 827.3 Dierences between bilayer 1D and 2D systems . . . . . . . . . . . . . . . . 858 Edge-decorated graphene nanoribbons 8838.1 Adatom edge passivations . . . . . . . . . . . . . . . . . . . . . . . . . . . . 908.2 decoration- and curvature-enriched essential properties . . . . . . . . . . . . 969 Alkali-adsorbed graphene nanoribbons 1059.1 The Alkali-created conduction electrons . . . . . . . . . . . . . . . . . . . . . 1069.2 The edge- and adsorption-co-dominated magnetic con gurations . . . . . . . 11010 Halogen-adsorbed GNRs 11410.1 Fluorination eects . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11510.2 Chlorination-related systems . . . . . . . . . . . . . . . . . . . . . . . . . . . 12211 Metal-adsorbed graphene nanoribbons 12911.1 Al . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13211.2 Ti . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13711.3 Bi . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14211.4 Fe/Co/Ni . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14712 Concluding remarks: covering comparisons, measurements, and applica-tions 150References 185