Strain-Modulated Half-Metallic Properties of Carbon-Doped Silicon Nanowires with Single Surface Dangling Bonds

Zhang, Z.-Y.; Guo, Wanlin

doi:10.1021/jp209110z

Cited by 7 publications

(7 citation statements)

References 41 publications

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“…Surface passivation of Si substrate has been established well for the PV performance enhancement of the conventional bulk Si cells but was usually overlooked in these heterojunction cells. Pristine Si usually has high concentration non-saturated dangling bonds at the surface that cause high local carrier recombination rates 17,18 . Inserting a thin passivation layer between Si and contact materials could provide an intermediate “i” region for the p-i-n device, which greatly suppresses the carrier recombination and builds an internal electrical field 19–21 .…”

Section: Introductionmentioning

confidence: 99%

Enhancing the photovoltaic performance of hybrid heterojunction solar cells by passivation of silicon surface via a simple 1-min annealing process

Xie

Ishijima

Sugime

et al. 2019

Sci Rep

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Solution-based heterojunction technology is emerging for facile fabrication of silicon (Si)-based solar cells. Surface passivation of Si substrate has been well established to improve the photovoltaic (PV) performance for the conventional bulk Si cells. However, the impact is still not seen for the heterojunction cells. Here, we developed a facile and repeatable method to passivate the Si surface by a simple 1-min annealing process in vacuum, and integrated it into the heterojunction cells with poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) (PEDOT:PSS) or carbon nanotube (CNT). A thin and dense oxide layer was introduced on the Si surface to provide a high-quality hole transport layer and passivation layer. The layer enhanced the power conversion efficiency from 9.34% to 12.87% (1.38-times enhancement) for the PEDOT:PSS/n-Si cells and from 6.61% to 8.52% (1.29-times enhancement) for the CNT/n-Si cells. The simple passivation is a promising way to enhance the PV performance of the Si cells with various solution-based heterojunctions.

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Section: Introductionmentioning

confidence: 99%

Enhancing the photovoltaic performance of hybrid heterojunction solar cells by passivation of silicon surface via a simple 1-min annealing process

Xie

Ishijima

Sugime

et al. 2019

Sci Rep

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“…Concerning to the [001] one, Durgun et al have considered defects and impurities in Hsaturated [001] SiNWs [6]. Zhang e Guo [7] have studied passivated [001] SiNWs doped with carbon, but with only a single dangling bond free at the surface. So, the relationship between the surface modifications and the electronic properties for completely non-passivated [001] SiNWs containing defects still remains an open problem.…”

Section: Introductionmentioning

confidence: 99%

Structural and electronic properties of vacancies and impurities in non-passivated silicon nanowires by first-principles calculations

Cruz¹,

Carvalho²,

Alves³

2017

Brazilian Workshop on Semiconductor Physics

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In this work, we report our preliminary results for the presence of the vacancy, as well as for the boron and nitrogen impurities in non-passivated [001] silicon nanowires. The results show that defects and dopants tend to segregate to the nanowire surfaces, as observed for passivated [110] ones, but at the (-2) charge state, due to the metallic character of the [001] nanowire. The vacancies are stable at the facets, while the impurities stay preferentially at the interstitial site, making bridges with the lateral surface Si atoms, below to this surface. As a consequence, the surface -states located at the facets are filled and a small bandgap appears in the calculated defect band structures.

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“…Tailoring electronic properties of confined nanoscale core–shell NWs presents a fundamental issue. In particular, the p-type doping of core–shell NWs is still a difficult problem and great importance in optoelectronic application. − Moreover, in the quantum confinement regime, the surface behavior induced by the surface dangling bonds (SDBs) is essentially critical and dramatically affects the structural and the electronic properties of nanostructure. − For example, the p-channel characteristics have been observed when Cd-doped InAs nanowires are passivated by surface ligands . Shu et al have demonstrated that the charged SDBs are a significant obstacle for realizing the effective p-type doping of InAs nanowires but have less influence on the n-type doping .…”

Section: Introductionmentioning

confidence: 99%

Engineering the Effective p-Type Dopant in GaAs/InAs Core–Shell Nanowires with Surface Dangling Bonds

et al. 2014

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Using first-principles calculation based on density-functional theory, we investigated the effect of surface dangling bond on ptype doping mechanism and the electronic structures in wurtzite (WZ) and zinc blende (ZB) GaAs/InAs core−shell nanowires (NWs) along the [0001] and [111] directions, respectively. The results of the formation energies show that the surface dangling bond of the In atom is a kind of stable defect. Both in WZ and ZB core−shell NWs, we found it is easier and more stable to realize dopant in the GaAs core. Moreover, the position of Cd impurity plays a key role in the formation of p-type nanowires. The farther the distance between the impurity and the surface dangling In atom, the easier it is to form the p-type characteristic of the nanowires. In particular, it shows an intrinsic behavior when doping the Cd impurity near the surface dangling bond. The surface dangling bonds have an ability to capture the holes from the neighbor doping impurity, resulting in the deactivation of dopants. Meanwhile, the transfer of hole moves the valence band down to the lower energy levels and even can lead to a band anticrossing phenomenon in the conduction band. Our results highlight a new physical coupling between the doped state and surface dangling bonds in GaAs/InAs core−shell NWs, and open a new opportunity for the development of tailoring nanoscale electronic properties.

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Strain-Modulated Half-Metallic Properties of Carbon-Doped Silicon Nanowires with Single Surface Dangling Bonds

Cited by 7 publications

References 41 publications

Enhancing the photovoltaic performance of hybrid heterojunction solar cells by passivation of silicon surface via a simple 1-min annealing process

Enhancing the photovoltaic performance of hybrid heterojunction solar cells by passivation of silicon surface via a simple 1-min annealing process

Structural and electronic properties of vacancies and impurities in non-passivated silicon nanowires by first-principles calculations

Engineering the Effective p-Type Dopant in GaAs/InAs Core–Shell Nanowires with Surface Dangling Bonds

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