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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: | , , , , |
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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/PMC7469641/ https://www.ncbi.nlm.nih.gov/pubmed/32905345 http://dx.doi.org/10.1021/acsomega.0c03160 |
Sumario: | [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. |
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