Effects of silver adatoms on the electronic structure of silicene

Ersan, Fatih; Arslanalp, Özlem; Gökoğlu, Gökhan; Aktürk, Ethem

doi:10.1016/j.apsusc.2014.04.176

Cited by 26 publications

(9 citation statements)

References 27 publications

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“…83 On the other hand, Ag is predicted to preserve a gapless Dirac cone. 84 The magnetism and the band gap can also be tuned by the adsorption of organic molecules [85][86][87] and superhalogen. 88 The fact that silicene stabilizes the catalytically active planar Au 20 cluster due to the strong covalent interaction can change the landscape of Au-based catalysts.…”

Section: Silicene Nanoribbonsmentioning

confidence: 99%

Silicene: Recent theoretical advances

Voon

Zhu

Schwingenschlögl

2016

Applied Physics Reviews

102

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Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.

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Section: Silicene Nanoribbonsmentioning

confidence: 99%

Silicene: Recent theoretical advances

Voon

Zhu

Schwingenschlögl

2016

Applied Physics Reviews

102

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“…It is found that two dimensional (2D) graphene and silicene materials have more striking properties than their 3D forms [2][3][4][5][6]. These knowledge motivate researchers to find new free-standing 2D materials.…”

Section: Introductionmentioning

confidence: 99%

Interactions of h-AlN monolayer with platinum, oxygen, and their clusters

et al. 2015

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“…Earlier, it has been shown experimentally and theoretically that bare SL structures can be functionalized through adsorption of adatoms to attain crucial physical and chemical properties for diverse applications. − For example, while graphene is inert to H 2 molecule, each Ti, Li, or Ca adatom adsorbed to graphene can hold 4–5 H 2 molecules, providing an excellent high-capacity medium of hydrogen storage. , Those properties have been shown to be strongly dependent on the coverage of adatoms to lead to tunable electronic properties. Accordingly, these unusual electronic, magnetic, and chemical properties achieved through the adsorption of foreign atoms to SL honeycomb structures have provided important applications and hence have augmented the interest in bare structures.…”

Section: Introductionmentioning

confidence: 99%

Interaction of Adatoms and Molecules with Single-Layer Arsenene Phases

Ersan¹,

2016

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Recent studies have shown that arsenic can form single-layer phases in buckled honeycomb as well as symmetric washboard structures, named as arsenene. These structures are stable even in freestanding form and are nonmagnetic semiconductors in the energy range which is suitable for various electronic applications. In this study we investigated the adsorption of selected adatoms (H, Li, B, C, N, O, Al, Si, P, Cl, Ti, Ga, Ge, As, Se and Sb) and physisorption of molecules (H 2 , O 2 and H 2 O) to these two arsene phases. Since the interaction of these adspecies with arsenene are studied using large supercells, the coupling between adspecies is minimized, and hence our results can be interpreted to mimic the effects of isolated adatom or physisorbed molecule. It is found that the adatoms form strong chemisorption bonds and hence modify the atomic structure and physical properties locally. Some of the adatoms give rise to significant local reconstruction of the atomic structure. Electronic states of some adatoms become spin polarized and attain net magnetic moments; they may even display half-metallic character at high coverage. Majority of adsorbed atoms give rise to localized states in the fundamental band gap. We showed that the interactions between H 2 , O 2 and H 2 O molecules and single-layer arsenene are rather weak and do not cause any significant changes in the physical properties of these molecules, as well as those of arsenene phases. However, some of these molecules can be dissociated at the edges of the flakes of arsenene structures; their constituents are adsorbed to the edge atoms and cause to local reconstructions.

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Effects of silver adatoms on the electronic structure of silicene

Cited by 26 publications

References 27 publications

Silicene: Recent theoretical advances

Silicene: Recent theoretical advances

Interactions of h-AlN monolayer with platinum, oxygen, and their clusters

Interaction of Adatoms and Molecules with Single-Layer Arsenene Phases

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