Cargando…
Modulating the Electronic, Optical, and Transport Properties of CdTe and ZnTe Nanostructures with Organic Molecules: A Theoretical Investigation
[Image: see text] In this paper, we systematically investigated the electronic, optical, and transport properties of CdTe and ZnTe nanostructures before and after adsorption with benzyl viologen (BV) and tetrafluoro-tetracyanoquinodimethane (F4-TCNQ) organic molecules based on the first principles c...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7469641/ https://www.ncbi.nlm.nih.gov/pubmed/32905345 http://dx.doi.org/10.1021/acsomega.0c03160 |
_version_ | 1783578441792094208 |
---|---|
author | Xia, Feifei Yang, Fengli Hu, Xiuying Zhang, Chunyong Zheng, Chunzhi |
author_facet | Xia, Feifei Yang, Fengli Hu, Xiuying Zhang, Chunyong Zheng, Chunzhi |
author_sort | Xia, Feifei |
collection | PubMed |
description | [Image: see text] In this paper, we systematically investigated the electronic, optical, and transport properties of CdTe and ZnTe nanostructures before and after adsorption with benzyl viologen (BV) and tetrafluoro-tetracyanoquinodimethane (F4-TCNQ) organic molecules based on the first principles calculation. First, the band gaps of CdTe and ZnTe nanostructures obviously decrease after BV and F4-TCNQ adsorptions. Interestingly, the electronic property calculation shows that BV and F4-TCNQ can donate/accept electrons to/from the surface of CdTe and ZnTe nanostructures, leading to an effective n-/p-type doping, respectively. Second, the optical absorption in a broad spectral range (from visible to near-infrared) of CdTe and ZnTe is significantly improved by adsorption of BV and F4-TCNQ molecules, offering great opportunities for the use of CdTe and ZnTe nanostructures in renewable energy fields. Lastly, the electrical transfer characteristics on CdTe and ZnTe nanostructure-based field-effect transistors clearly showed that the conduction of the nanostructures can be rationally tuned into n- and p-type conductivity with BV and F4-TCNQ adsorptions, respectively. Our work clearly demonstrates that the electronic, optical, and transport properties of CdTe and ZnTe nanostructures are effectively modulated by adsorption of BV and F4-TCNQ, which can be used to construct high-performance electronic and optoelectronic devices. |
format | Online Article Text |
id | pubmed-7469641 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-74696412020-09-04 Modulating the Electronic, Optical, and Transport Properties of CdTe and ZnTe Nanostructures with Organic Molecules: A Theoretical Investigation Xia, Feifei Yang, Fengli Hu, Xiuying Zhang, Chunyong Zheng, Chunzhi ACS Omega [Image: see text] In this paper, we systematically investigated the electronic, optical, and transport properties of CdTe and ZnTe nanostructures before and after adsorption with benzyl viologen (BV) and tetrafluoro-tetracyanoquinodimethane (F4-TCNQ) organic molecules based on the first principles calculation. First, the band gaps of CdTe and ZnTe nanostructures obviously decrease after BV and F4-TCNQ adsorptions. Interestingly, the electronic property calculation shows that BV and F4-TCNQ can donate/accept electrons to/from the surface of CdTe and ZnTe nanostructures, leading to an effective n-/p-type doping, respectively. Second, the optical absorption in a broad spectral range (from visible to near-infrared) of CdTe and ZnTe is significantly improved by adsorption of BV and F4-TCNQ molecules, offering great opportunities for the use of CdTe and ZnTe nanostructures in renewable energy fields. Lastly, the electrical transfer characteristics on CdTe and ZnTe nanostructure-based field-effect transistors clearly showed that the conduction of the nanostructures can be rationally tuned into n- and p-type conductivity with BV and F4-TCNQ adsorptions, respectively. Our work clearly demonstrates that the electronic, optical, and transport properties of CdTe and ZnTe nanostructures are effectively modulated by adsorption of BV and F4-TCNQ, which can be used to construct high-performance electronic and optoelectronic devices. American Chemical Society 2020-08-18 /pmc/articles/PMC7469641/ /pubmed/32905345 http://dx.doi.org/10.1021/acsomega.0c03160 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 | Xia, Feifei Yang, Fengli Hu, Xiuying Zhang, Chunyong Zheng, Chunzhi Modulating the Electronic, Optical, and Transport Properties of CdTe and ZnTe Nanostructures with Organic Molecules: A Theoretical Investigation |
title | Modulating the Electronic, Optical, and Transport
Properties of CdTe and ZnTe Nanostructures with Organic Molecules:
A Theoretical Investigation |
title_full | Modulating the Electronic, Optical, and Transport
Properties of CdTe and ZnTe Nanostructures with Organic Molecules:
A Theoretical Investigation |
title_fullStr | Modulating the Electronic, Optical, and Transport
Properties of CdTe and ZnTe Nanostructures with Organic Molecules:
A Theoretical Investigation |
title_full_unstemmed | Modulating the Electronic, Optical, and Transport
Properties of CdTe and ZnTe Nanostructures with Organic Molecules:
A Theoretical Investigation |
title_short | Modulating the Electronic, Optical, and Transport
Properties of CdTe and ZnTe Nanostructures with Organic Molecules:
A Theoretical Investigation |
title_sort | modulating the electronic, optical, and transport
properties of cdte and znte nanostructures with organic molecules:
a theoretical investigation |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7469641/ https://www.ncbi.nlm.nih.gov/pubmed/32905345 http://dx.doi.org/10.1021/acsomega.0c03160 |
work_keys_str_mv | AT xiafeifei modulatingtheelectronicopticalandtransportpropertiesofcdteandzntenanostructureswithorganicmoleculesatheoreticalinvestigation AT yangfengli modulatingtheelectronicopticalandtransportpropertiesofcdteandzntenanostructureswithorganicmoleculesatheoreticalinvestigation AT huxiuying modulatingtheelectronicopticalandtransportpropertiesofcdteandzntenanostructureswithorganicmoleculesatheoreticalinvestigation AT zhangchunyong modulatingtheelectronicopticalandtransportpropertiesofcdteandzntenanostructureswithorganicmoleculesatheoreticalinvestigation AT zhengchunzhi modulatingtheelectronicopticalandtransportpropertiesofcdteandzntenanostructureswithorganicmoleculesatheoreticalinvestigation |