Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons

Chang, S. L.; Lin, Shih-Yang; Lin, Shih‐kang; Lee, Chi-Hsuan; Lin, Ming–Fa

doi:10.1038/srep06038

Cited by 27 publications

(17 citation statements)

References 47 publications

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“…In particular, the edge states in 2D monolayers are found to be extremely important in the design of 2D material-based devices, attributed to their physical, chemical, and electronic properties that are distinct from their intrinsic counterpart 4 – 13 . Recent experiments and theoretical calculations have revealed that the edge stress can play a dominant role in influencing the intrinsic topology of the monolayer, which can potentially be used to tune the electronic and chemical properties of the edges and their vicinity 14 – 18 . This has sparked growing interests in understanding the relationship between mechanical, electronic and magnetic properties of stable edges for 2D materials.…”

Section: Introductionmentioning

confidence: 99%

The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

Deng

Yin

Niu

et al. 2017

Sci Rep

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The edge states are of particular importance to understand fundamental properties of finite two-dimensional (2D) crystals. Based on first-principles calculations, we investigated on the bare zigzag boron nitride nanoribbons (zzBNNRs) with different spin-polarized states well localized at and extended along their edges. Our calculations examined the edge stress, which is sensitively dependent on the magnetic edge states, for either B-terminated edge or N-terminated edge. Moreover, we revealed that different magnetic configurations lead to a rich spectrum of electronic behaviors at edges. Using an uniaxial tensile strain, we proposed the magnetic phase transitions and thereby obtained the metallic to half-metallic (or reverse) phase transitions at edges. It suggests zzBNNR as a promising candidate for potential applications of non-metal spintronic devices.

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Section: Introductionmentioning

confidence: 99%

The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

Deng

Yin

Niu

et al. 2017

Sci Rep

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“…In fact, relevant aspects of the emerging materials and technologies can be approached from various standpoints through the formulation of several abstraction levels [6]. Without the ambition to provide their complete and exhaustive list, the most interesting candidates for a replacement of unipolar CMOS technology in the suggested scenario may include silicon nanowires (Si-NWs) [7] [8], carbon nanotubes [9] [10], graphene nanoribbons [11] [12], organic polymers with semiconductor-like properties [13] and presumably even other suitable emerging nanostructures and materials [14], which make it possible to obtain new generation of advanced multi-functional logic elements.…”

Section: Recent Advancements Within the Field Of Digital Design Technmentioning

confidence: 99%

Design of Polymorphic Operators for Efficient Synthesis of Multifunctional Circuits

Brno¹,

Republic²

2016

JCC

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Systematic effort dedicated to the exploration of feasible ways how to permanently come up with even more space-efficient implementation of digital circuits based on conventional CMOS technology node may soon reach the ultimate point, which is mostly given by the constraints associated with physical scaling of fundamental electronic components. One of the possible ways of how to mitigate this problem can be recognized in deployment of multifunctional circuit elements. In addition, the polymorphic electronics paradigm, with its considerable independence on a particular technology, opens a way how to fulfil this objective through the adoption of emerging semiconductor materials and advanced synthesis methods. In this paper, main attention is focused on the introduction of polymorphic operators (i.e. digital logic gates) that would allow to further increase the efficiency of multifunctional circuit synthesis techniques. Key aspect depicting the novelty of the proposed approach is primarily based on the intrinsic exploitation of components with ambipolar conduction property. Finally, relevant models of the polymorphic operators are presented in conjunction with the experimental results.

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“…Another study [11] suggests the possibility of achieving a half-metallic GNR by doping different species at different edges. Chang et al [12] investigated curved GNRs to simulate unzipping of graphene nanotubes through edge decoration with elements whose atomic number is less than 30. Cervantes-Sodi et al [13] reported detailed studies on the electronic and magnetic properties of edge-decorated GNR with H, N, and O atoms.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons

2018

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Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons.

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Geometric and Electronic Properties of Edge-decorated Graphene Nanoribbons

Cited by 27 publications

References 47 publications

The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons

Design of Polymorphic Operators for Efficient Synthesis of Multifunctional Circuits

First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons

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