Theoretical calculations of structures and properties of one-dimensional silicon-based nanomaterials: Particularities and peculiarities of silicon and silicon-containing nanowires and nanotubes

Teo, Boon K.; Huang, Shuping; Zhang, R. Q.; Li, Wai Kee

doi:10.1016/j.ccr.2009.08.001

Cited by 39 publications

(10 citation statements)

References 118 publications

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“…12 Any practical application of these materials is likely to involve a large number of nanowires in close proximity to each other. Instrumented indentation has been the most commonly used method for studying the mechanical properties of films and coatings.…”

Section: Introductionmentioning

confidence: 99%

Mechanical properties of vertically aligned single-crystalline silicon nanowire arrays

Cuevas

Dalchiele²,

Marotti³

et al. 2011

J. Mater. Res.

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Single-crystalline p-type silicon nanowire (SiNW) arrays have been formed by electroless metal deposition on a silicon wafer piece in an ionic Ag/fluorhydric acid (HF) solution through selective etching. They display mechanical properties that are different from those of both bulk silicon and single SiNWs. As any practical application of these materials is likely to involve a large number of nanowires in close proximity to each other, it is necessary to understand the mechanical properties of SiNW arrays. In this work, as a first step to characterize their mechanical properties, the buckling instabilities of the surfaces formed by vertically aligned SiNWs have been studied by nanoindentation tests.

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Section: Introductionmentioning

confidence: 99%

Mechanical properties of vertically aligned single-crystalline silicon nanowire arrays

Cuevas

Dalchiele²,

Marotti³

et al. 2011

J. Mater. Res.

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“…The electronic properties of pure single-walled Si hexagonal nanotubes and gearlike nanotubes with 3-fold-coordinated silicon depend on the diameters and chiralities. , By appropriately dealing with the dangling bonds, SiH nanotubes and SiO nanotubes show a semiconducting gap independent of chiralities. , However, with the 4-fold-coordinated silicon, the single-walled SiNTs are possibly metals rather than wide-gap semiconductors . The recent theoretical calculation of structures and properties of one-dimensional silicon-based nanomaterials was reviewed by Teoa et al On the basis of first-principles calculations, it is found that SiNTs also show higher binding energy and gravimetric adsorption capacity for hydrogen adsorption than CNTs. − …”

Section: Introductionmentioning

confidence: 99%

Novel Chemical Sensor for CO and NO: Silicon Nanotube

Wang

Cao

2011

J. Phys. Chem. C

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Using the first-principles calculation, we investigate the adsorption of CO and NO on (8, 0) silicon nanotubes (SiNTs). The detailed analysis of the structural and electronical properties of various optimized configurations is performed. The results show that CO molecule can be chemisorbed on SiNT with the C atom bonding with the Si atom of the tubular surface when CO is located on the top site, accompanying with the binding energy of 1.559 eV and charge transfer of 0.658|e|, which are larger than the results of other configurations. For the SiNT-NO systems, there exist four strong chemical adsorption configurations. The most stable configuration is the N atom bonding with two Si atoms on the bridge site. The binding energy is 2.135 eV and charge transfer is 2.064|e|. In addition, it is found that both the C–O and N–O bonds are elongated when CO and NO are chemisorbed on SiNT. Compared to carbon nanotubes (CNTs) or silicon carbon nanotubes (SiCNTs), the SiNTs have stronger interaction with the CO and NO and can provide more sensitive signal for CO and NO sensing. In particular, the semiconducting (16, 0) SiNT would become metallic after adsorption CO, and the SiNTs after adsorption of NO would be magnetic, which can serve as a sensitive signal for CO or NO sensing. In short, the SiNTs with the semconducting structure are a very promising candidate for CO and NO sensing and detection.

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“…However, after appropriate treatments (e.g., heat polarization and corona charging method), the modified silicon can serve as electrets to further fabricate NGs. In addition, the attributes of silicon (i.e., lower electronegativity, weaker bonds, larger atomic radius, lower hybridization energies, the availability of d orbitals with low energy and the possibility to increase its coordination number) have a tremendous impact on the bonding capabilities. Hence, one of the advantages is its easy modification with various materials, which makes it possible to employ modified Si materials to fabricate NGs.…”

Section: Materials Design and Manipulation For Ngsmentioning

confidence: 99%

Recent Advancements in Nanogenerators for Energy Harvesting

Cai

Liao

et al. 2015

Small

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Nanomaterial-based generators are a highly promising power supply for micro/nanoscale devices, capable of directly harvesting energy from ambient sources without the need for batteries. These generators have been designed within four main types: piezoelectric, triboelectric, thermoelectric, and electret effects, and consist of ZnO-based, silicon-based, ferroelectric-material-based, polymer-based, and graphene-based examples. The representative achievements, current challenges, and future prospects of these nanogenerators are discussed.

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Theoretical calculations of structures and properties of one-dimensional silicon-based nanomaterials: Particularities and peculiarities of silicon and silicon-containing nanowires and nanotubes

Cited by 39 publications

References 118 publications

Mechanical properties of vertically aligned single-crystalline silicon nanowire arrays

Mechanical properties of vertically aligned single-crystalline silicon nanowire arrays

Novel Chemical Sensor for CO and NO: Silicon Nanotube

Recent Advancements in Nanogenerators for Energy Harvesting

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