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Determining Locations of Conduction Bands and Valence Bands of Semiconductor Nanoparticles Based on Their Band Gaps
[Image: see text] Experimentally, the values of band gaps of semiconductor nanoparticles are generally obtained by the absorption spectrum. Nevertheless, the determinations of the corresponding energy levels of the conduction bands (CBs) or valence bands (VBs) remain a challenge. Correspondingly, an...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7226884/ https://www.ncbi.nlm.nih.gov/pubmed/32426586 http://dx.doi.org/10.1021/acsomega.9b04238 |
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author | Shao, Qi Lin, Haiping Shao, Mingwang |
author_facet | Shao, Qi Lin, Haiping Shao, Mingwang |
author_sort | Shao, Qi |
collection | PubMed |
description | [Image: see text] Experimentally, the values of band gaps of semiconductor nanoparticles are generally obtained by the absorption spectrum. Nevertheless, the determinations of the corresponding energy levels of the conduction bands (CBs) or valence bands (VBs) remain a challenge. Correspondingly, an accurate prediction of the CB or VB energy values is highly desired for designing and developing semiconductor devices. Herein, on the basis of the tight-binding approximation, we report a new linear equation that may quantitatively determine the energy levels of CB and VB of semiconductor nanoparticles based on their band gaps: [Image: see text] and [Image: see text], where p and q are constants related with the crystal structures, and m(e) and m(h) are the effective mass of electrons and holes, respectively. For single elements and binary crystals with tetrahedral and octahedral unit cells, which represent the majority of important semiconductors, the above equations can be simplified as: [Image: see text] and [Image: see text]. For Si nanoparticles, E(CB,Si) = 0.35 × (E(g) – 1.1) – 4.0 and E(VB,Si) = −0.65 × (E(g) – 1.1) – 5.1. |
format | Online Article Text |
id | pubmed-7226884 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-72268842020-05-18 Determining Locations of Conduction Bands and Valence Bands of Semiconductor Nanoparticles Based on Their Band Gaps Shao, Qi Lin, Haiping Shao, Mingwang ACS Omega [Image: see text] Experimentally, the values of band gaps of semiconductor nanoparticles are generally obtained by the absorption spectrum. Nevertheless, the determinations of the corresponding energy levels of the conduction bands (CBs) or valence bands (VBs) remain a challenge. Correspondingly, an accurate prediction of the CB or VB energy values is highly desired for designing and developing semiconductor devices. Herein, on the basis of the tight-binding approximation, we report a new linear equation that may quantitatively determine the energy levels of CB and VB of semiconductor nanoparticles based on their band gaps: [Image: see text] and [Image: see text], where p and q are constants related with the crystal structures, and m(e) and m(h) are the effective mass of electrons and holes, respectively. For single elements and binary crystals with tetrahedral and octahedral unit cells, which represent the majority of important semiconductors, the above equations can be simplified as: [Image: see text] and [Image: see text]. For Si nanoparticles, E(CB,Si) = 0.35 × (E(g) – 1.1) – 4.0 and E(VB,Si) = −0.65 × (E(g) – 1.1) – 5.1. American Chemical Society 2020-04-30 /pmc/articles/PMC7226884/ /pubmed/32426586 http://dx.doi.org/10.1021/acsomega.9b04238 Text en Copyright © 2020 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Shao, Qi Lin, Haiping Shao, Mingwang Determining Locations of Conduction Bands and Valence Bands of Semiconductor Nanoparticles Based on Their Band Gaps |
title | Determining Locations of Conduction
Bands and Valence Bands of Semiconductor Nanoparticles Based on Their
Band Gaps |
title_full | Determining Locations of Conduction
Bands and Valence Bands of Semiconductor Nanoparticles Based on Their
Band Gaps |
title_fullStr | Determining Locations of Conduction
Bands and Valence Bands of Semiconductor Nanoparticles Based on Their
Band Gaps |
title_full_unstemmed | Determining Locations of Conduction
Bands and Valence Bands of Semiconductor Nanoparticles Based on Their
Band Gaps |
title_short | Determining Locations of Conduction
Bands and Valence Bands of Semiconductor Nanoparticles Based on Their
Band Gaps |
title_sort | determining locations of conduction
bands and valence bands of semiconductor nanoparticles based on their
band gaps |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7226884/ https://www.ncbi.nlm.nih.gov/pubmed/32426586 http://dx.doi.org/10.1021/acsomega.9b04238 |
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