One-Dimensional Metallic Edge States in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>MoS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Bollinger, Mikkel; Lauritsen, Jeppe V.; Jacobsen, Karsten Wedel; Nørskov, Jens K.; Helveg, Stig; Besenbacher, Flemming

doi:10.1103/physrevlett.87.196803

Cited by 594 publications

(520 citation statements)

References 16 publications

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“…This feature seems to be in agreement with earlier calculations [12,13,26] and possibly with the scanningtunneling-microscope images of MoS 2 triangles exhibiting a period of two along the Mo edges [12,15,27]. The resulting structure and the corresponding S 2 −S 2 distances are shown in Fig.…”

Section: Modelssupporting

confidence: 79%

“…It is understood that the edges of the MoS 2 nanoclusters are catalytically active [11][12][13] and that this is due to the existence of metallic states present at certain edge configurations [14][15][16][17][18]. It has recently been shown that these states can lead to the formation of plasmons, i.e., quantized oscillations of electron gas plasma, along the edges of infinite MoS 2 nanoribbons [19].…”

Section: Introductionmentioning

confidence: 99%

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Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

et al. 2017

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Finite MoS 2 nanoparticles are known to support metallic edge states that are responsible for their catalytic activity. In this work we employ time-dependent density-functional theory (TDDFT) to study the influence of such edge states on the optical properties of triangular MoS 2 monolayer flakes. We find that the edge states support collective plasmon-like excitations that couple strongly to the optical field leading to pronounced absorption peaks below the onset of interband transitions on the basal plane. Additionally, structural relaxation of the flakes can significantly distort the edge states. Thus, we observe that while an evenly-spaced edge configuration supports one-dimensional (1D) plasmon modes similar to those of an ideal 1D electron gas, the relaxed structures show mixed plasmon and single-electron excitations in the low-energy response. Our findings illustrate the sensitivity of the optical response of MoS 2 nanostructures to the details of the edge configuration.

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Section: Modelssupporting

confidence: 79%

Section: Introductionmentioning

confidence: 99%

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

et al. 2017

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“…Many TMDCs have band structures that are similar in their general features, as shown by first principles and tight-binding approximations 25,[80][81][82][83][84][85] and measured using a variety of spectroscopic tools 31,32,[86][87][88][89] . In general, MoX 2 and WX 2 compounds are semiconducting whereas NbX 2 and TaX 2 are metallic 25,[80][81][82][83][84] .…”

Section: Electronic Structurementioning

confidence: 99%

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

et al. 2012

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699M any two-dimensional (2D) materials exist in bulk form as stacks of strongly bonded layers with weak interlayer attraction, allowing exfoliation into individual, atomically thin layers 1 . The form receiving the most attention today is graphene, the monolayer counterpart of graphite. The electronic band structure of graphene has a linear dispersion near the K point, and charge carriers can be described as massless Dirac fermions, providing scientists with an abundance of new physics 2,3 . Graphene is a unique example of an extremely thin electrical and thermal conductor 4 , with high carrier mobility 5 , and surprising molecular barrier properties 6,7 .Many other 2D materials are known, such as the TMDCs 8,9 , transition metal oxides including titania-and perovskite-based oxides 10,11 , and graphene analogues such as boron nitride (BN) 12,13 . In particular, TMDCs show a wide range of electronic, optical, mechanical, chemical and thermal properties that have been studied by researchers for decades 9,14,15 . There is at present a resurgence of scientific and engineering interest in TMDCs in their atomically thin 2D forms because of recent advances in sample preparation, optical detection, transfer and manipulation of 2D materials, and physical understanding of 2D materials learned from graphene.The 2D exfoliated versions of TMDCs offer properties that are complementary to yet distinct from those in graphene. Graphene displays an exceptionally high carrier mobility exceeding 10 6 cm 2 V -1 s -1 at 2 K (ref. 16) and exceeding 10 5 cm 2 V -1 s -1 at room temperature for devices encapsulated in BN dielectric layers 5 ; because pristine graphene lacks a bandgap, however, fieldeffect transistors (FETs) made from graphene cannot be effectively switched off and have low on/off switching ratios. Bandgaps can be engineered in graphene using nanostructuring [17][18][19] , chemical functionalization 20 and applying a high electric field to bilayer graphene 21 , but these methods add complexity and diminish mobility. In contrast, several 2D TMDCs possess sizable bandgaps around 1-2 eV (refs 9,14), promising interesting new FET and optoelectronic devices.TMDCs are a class of materials with the formula MX 2 , where M is a transition metal element from group IV (Ti, Zr, Hf and so on), group V (for instance V, Nb or Ta) or group VI (Mo, W and so on), and X is a chalcogen (S, Se or Te). These materials form layered structures of the form X-M-X, with the chalcogen atoms in two hexagonal planes separated by a plane of metal atoms, as shown in Fig. 1a. Adjacent layers are weakly held together to form the bulk crystal in a variety of polytypes, which vary in stacking orders and metal atom coordination, as shown in Fig. 1e. The overall symmetry of TMDCs is hexagonal or rhombohedral, and the metal atoms have octahedral or trigonal prismatic coordination. The electronic properties of TMDCs range from metallic to semiconducting, as summarized in Table 1. There are also TMDCs that exhibit exotic behaviours such as charge density waves ...

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“…As for industrial‐style MoS 2 , high resolution scanning transmission electron microscopy (STEM) reveals the nanocatalyst suits the 50% sulfur cover Mo edge structures (Figure 1b) 39. The edges of single‐layer MoS 2 have two localized metallic states which indicate subtle electronic structure changes close to the edges,40 and result in the light lines in STM images. More STM studies reveal the coordination structures of Mo‐S at edge are a little different with bulk MoS 2 , a so‐called “S2 dimer” is formed by two outermost S atoms which contract in the direction perpendicular to the basal plane 41.…”

Section: Edges As Active Sitesmentioning

confidence: 99%

Face the Edges: Catalytic Active Sites of Nanomaterials

Wang

2015

Advanced Science

150

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Edges are special sites in nanomaterials. The atoms residing on the edges have different environments compared to those in other parts of a nanomaterial and, therefore, they may have different properties. Here, recent progress in nanomaterial fields is summarized from the viewpoint of the edges. Typically, edge sites in MoS2 or metals, other than surface atoms, can perform as active centers for catalytic reactions, so the method to enhance performance lies in the optimization of the edge structures. The edges of multicomponent interfaces present even more possibilities to enhance the activities of nanomaterials. Nanoframes and ultrathin nanowires have similarities to conventional edges of nanoparticles, the application of which as catalysts can help to reduce the use of costly materials. Looking beyond this, the edge structures of graphene are also essential for their properties. In short, the edge structure can influence many properties of materials.

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One-Dimensional Metallic Edge States inMoS2

Cited by 594 publications

References 16 publications

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

Face the Edges: Catalytic Active Sites of Nanomaterials

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