Comparative structural and electronic studies of hydrogen interaction with isolated versus ordered silicon nanoribbons grown on Ag(110)

Dávila, M. E.; Marele, Antonela C.; Padova, Paola De; Montero, I.; Hennies, Franz; Pietzsch, Annette; Shariati, Masumeh-Nina; Gómez‐Rodríguez, José M.; Lay, G. Le

doi:10.1088/0957-4484/23/38/385703

Cited by 43 publications

(37 citation statements)

References 34 publications

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“…Their edges are passivated by H while their surfaces are kept pristine because the surfaces are less reactive than the edges. 76 It has been reported that 7-ASiNR is a paramagnetic semiconductor with a band gap of ~0.56 eV. 56,58 The semiconducting ASiNR is chosen because it is expected that the adsorption of gas molecules has a much smaller effect on the electronic properties of zigzag SiNRs (ZSiNRs) which are metallic.…”

Section: Resultsmentioning

confidence: 99%

A theoretical study of gas adsorption on silicene nanoribbons and its application in a highly sensitive molecule sensor

2016

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Inspired by the recent successes in the development of two-dimensional based gas sensors capable of single gas molecule detection, we investigate the adsorption of gas molecules (N2, NO, NO2, NH3, CO, CO2, CH4, SO2, and H2S) on silicene nanoribbons (SiNRs) using density functional theory (DFT) and nonequilibrium Green's function (NEGF) methods. The most stable adsorption configurations, adsorption sites, adsorption energies, charge transfer, quantum conductance modulation, and electronic band structures of all studied gas molecules on SiNRs are studied. Our results indicate that NO, NO2, and SO2 are chemisorbed on SiNRs via strong covalent bonds, suggesting its potential application for disposable gas sensors. In addition, CO and NH3 are chemisorbed on SiNRs with moderate adsorption energy, alluding to its suitability as a highly sensitive gas sensor. The quantum conductance is detectably modulated by chemisorption of gas molecules which can be attributed to the charge transfer from the gas molecule to the SiNR. Other studied gases are physisorbed on SiNRs via van der Waals interactions. It is also found that the adsorption energies are enhanced by doping SiNRs with either B or N atom. Our results suggest that SiNRs show promise in gas molecule sensing applications.

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Section: Resultsmentioning

confidence: 99%

A theoretical study of gas adsorption on silicene nanoribbons and its application in a highly sensitive molecule sensor

2016

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“…The calculations show that at adequate levels of H insertion, it forms a freestanding decorated silicane structure in separating the silicene sheet from its growth substrate. This process has been experimentally demonstrated in the case of extracting silicene nano ribbons from Ag substrates and is yet to be extended to sheets . Li was observed to have a preferential state of bonding on top of silicene proving inadequate for exfoliation purposes .…”

Section: Realizing 2d Elemental Sheetsmentioning

confidence: 99%

Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene

Balendhran

Walia

Nili

et al. 2014

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The fascinating electronic and optoelectronic properties of free-standing graphene has led to the exploration of alternative two-dimensional materials that can be easily integrated with current generation of electronic technologies. In contrast to 2D oxide and dichalcogenides, elemental 2D analogues of graphene, which include monolayer silicon (silicene), are fast emerging as promising alternatives, with predictions of high degree of integration with existing technologies. This article reviews this emerging class of 2D elemental materials - silicene, germanene, stanene, and phosphorene--with emphasis on fundamental properties and synthesis techniques. The need for further investigations to establish controlled synthesis techniques and the viability of such elemental 2D materials is highlighted. Future prospects harnessing the ability to manipulate the electronic structure of these materials for nano- and opto-electronic applications are identified.

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“…Thus far, freestanding silicene has not been synthesized. Most of the silicene structures were grown on Ag surfaces89101112131415161718, with a few successes on ZrB 2 19 and Ir20. Yet, interaction with the substrate may render it rather difficult to probe the intrinsic properties of silicene21222324.…”

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Interfacial Coupling and Electronic Structure of Two-Dimensional Silicon Grown on the Ag(111) Surface at High Temperature

Feng

Wagner

Zhang

2015

Sci Rep

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Freestanding silicene, a monolayer of Si arranged in a honeycomb structure, has been predicted to give rise to massless Dirac fermions, akin to graphene. However, Si structures grown on a supporting substrate can show properties that strongly deviate from the freestanding case. Here, combining scanning tunneling microscopy/spectroscopy and differential conductance mapping, we show that the electrical properties of the phase of few-layer Si grown on Ag(111) strongly depend on film thickness, where the electron phase coherence length decreases and the free-electron-like surface state gradually diminishes when approaching the interface. These features are presumably attributable to the inelastic inter-band electron-electron scattering originating from the overlap between the surface state, interface state and the bulk state of the substrate. We further demonstrate that the intrinsic electronic structure of the as grown phase is identical to that of the R30° reconstructed Ag on Si(111), both of which exhibit the parabolic energy-momentum dispersion relation with comparable electron effective masses. These findings highlight the essential role of interfacial coupling on the properties of two-dimensional Si structures grown on supporting substrates, which should be thoroughly scrutinized in pursuit of silicene.

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Comparative structural and electronic studies of hydrogen interaction with isolated versus ordered silicon nanoribbons grown on Ag(110)

Cited by 43 publications

References 34 publications

A theoretical study of gas adsorption on silicene nanoribbons and its application in a highly sensitive molecule sensor

A theoretical study of gas adsorption on silicene nanoribbons and its application in a highly sensitive molecule sensor

Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene

Interfacial Coupling and Electronic Structure of Two-Dimensional Silicon Grown on the Ag(111) Surface at High Temperature

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