2014
DOI: 10.1063/1.4893543
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Ag and Au atoms intercalated in bilayer heterostructures of transition metal dichalcogenides and graphene

Abstract: The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of t… Show more

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Cited by 14 publications
(11 citation statements)
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“…As for the intercalation mechanism of silicon in between MoS 2 layers, we can only speculate. A plethora of studies on the intercalation of different chemical species in TMDs have been reported from elements as small as lithium [ 51 ], sodium [ 52 54 ] and carbon [ 55 ] to elements as large as cesium [ 56 57 ] and gold [ 58 ]. Other studies report on the intercalation of silicon and other elements under graphene layers synthesized on metal substrates [ 59 61 ].…”
Section: Resultsmentioning
confidence: 99%
“…As for the intercalation mechanism of silicon in between MoS 2 layers, we can only speculate. A plethora of studies on the intercalation of different chemical species in TMDs have been reported from elements as small as lithium [ 51 ], sodium [ 52 54 ] and carbon [ 55 ] to elements as large as cesium [ 56 57 ] and gold [ 58 ]. Other studies report on the intercalation of silicon and other elements under graphene layers synthesized on metal substrates [ 59 61 ].…”
Section: Resultsmentioning
confidence: 99%
“…[6][7][8][9][10][11] Various experimental methods to thin down TMDs to monolayers [12][13][14] and a number of theoretical studies revealing the possibility of tuning their properties have already been reported. [15][16][17][18] In addition to TMDs (MoX 2 X= S, Se, Te) having graphene-like crystal structure, recent efforts have also led to the synthesis of novel TMDs with entirely different crystal structures. Titanium trisulphide (TiS 3 ) is one of the most recent examples of such layered transition metal chalcogenides.…”
Section: Introductionmentioning
confidence: 99%
“…The wide range of different structural forms and the tunability of their electronic properties have made two-dimensional ultrathin materials popular in the field of condensed matter physics. In the past decade, following the synthesis of graphene, , layered crystals of transition metal dichalcogenides (TMDs) have attracted tremendous interest owing to their remarkable electronic, mechanical, and optical properties. Depending on the combination of metal and chalcogen atoms, TMDs may display metallic, semimetallic, semiconducting, and even superconducting behavior. Various experimental methods to thin down TMDs to monolayers and a number of theoretical studies revealing the possibility of tuning their properties have already been reported. In addition to TMDs (MoX 2 , X = S, Se, Te) having graphene-like crystal structure, recent efforts have also led to the synthesis of novel TMDs with entirely different crystal structures. Titanium trisulfide (TiS 3 ) is one of the most recent examples of such layered transition metal chalcogenides.…”
Section: Introductionmentioning
confidence: 99%
“…38 This allows Ag to ionize at relatively lower electrochemical potentials and migrate owing to its comparatively small ionic size through the hBN matrix to the Cu electrode. 39 Here nanoclusters are nucleated which grow in the form of laments. Following electroforming, the device is cycled between LRS and HRS several times.…”
Section: Discussionmentioning
confidence: 99%