2011
DOI: 10.1021/jp111389v
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Novel Chemical Sensor for CO and NO: Silicon Nanotube

Abstract: 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 … Show more

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Cited by 36 publications
(19 citation statements)
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“…Recently, silicon nanotubes (SiNTs) have attracted intensive research attention because they bear a great potential to be applied in LIBs, field‐effect transistors, hydrogen storage, and nanoscale electronic devices . As shown in Figure 4 , the hollow nanostructured silicon is a promising anode material for LIBs because the axial void offers additional space for the expansion during the lithiation/delithiation process, and thus prevents the pulverization of silicon .…”
Section: Applications Of Silicon Nanotubes (1d) For Libsmentioning
confidence: 99%
“…Recently, silicon nanotubes (SiNTs) have attracted intensive research attention because they bear a great potential to be applied in LIBs, field‐effect transistors, hydrogen storage, and nanoscale electronic devices . As shown in Figure 4 , the hollow nanostructured silicon is a promising anode material for LIBs because the axial void offers additional space for the expansion during the lithiation/delithiation process, and thus prevents the pulverization of silicon .…”
Section: Applications Of Silicon Nanotubes (1d) For Libsmentioning
confidence: 99%
“…The electronic10a,g and optical11 properties of SWSiNTs are structure dependent and vary with the diameter and chirality of the tube. Significant attention has been paid to various potential applications of SWSiNTs, including hydrogen storage,12 nanoelectronics,13 and chemical sensors 14…”
Section: Introductionmentioning
confidence: 99%
“…Silicon Nanotubes. Silicon nanotubes are another exciting structure of silicon which has been applied and tested in various fields including lithium secondary cells and other nanoelectrochemical devices [77][78][79][80]. In LIBs study, silicon nanotube has drawn a lot of attention due to its unique hollow structure which could provide both inner and outer space for silicon to expand during cycling, minimizing the cracks and damage to the anode.…”
Section: Synthesis and Application Of Siliconmentioning
confidence: 99%