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  • Hindawi Limited  (4)
  • Wang, Pei-Ji  (4)
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  • Hindawi Limited  (4)
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  • 1
    Online Resource
    Online Resource
    Hindawi Limited ; 2017
    In:  Journal of Nanomaterials Vol. 2017 ( 2017), p. 1-12
    In: Journal of Nanomaterials, Hindawi Limited, Vol. 2017 ( 2017), p. 1-12
    Abstract: Under external transverse electronic fields and hydrogen passivation, the electronic structure and band gap of tin dioxide nanoribbons (SnO 2 NRs) with both zigzag and armchair shaped edges are studied by using the first-principles projector augmented wave (PAW) potential with the density function theory (DFT) framework. The results showed that the electronic structures of zigzag and armchair edge SnO 2 NRs exhibit an indirect semiconducting nature and the band gaps demonstrate a remarkable reduction with the increase of external transverse electronic field intensity, which demonstrate a giant Stark effect. The value of the critical electric field for bare Z-SnO 2 NRs is smaller than A-SnO 2 NRs. In addition, the different hydrogen passivation nanoribbons (Z-SnO 2 NRs-2H and A-SnO 2 NRs-OH) show different band gaps and a slightly weaker Stark effect. The band gap of A-SnO 2 NRs-OH obviously is enhanced while the Z-SnO 2 NRs-2H reduce. Interestingly, the Z-SnO 2 NRs-OH presented the convert of metal-semiconductor-metal under external transverse electronic fields. In the end, the electronic transport properties of the different edges SnO 2 NRs are studied. These findings provide useful ways in nanomaterial design and band engineering for spintronics.
    Type of Medium: Online Resource
    ISSN: 1687-4110 , 1687-4129
    Language: English
    Publisher: Hindawi Limited
    Publication Date: 2017
    detail.hit.zdb_id: 2229480-6
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  • 2
    Online Resource
    Online Resource
    Hindawi Limited ; 2019
    In:  Journal of Nanomaterials Vol. 2019 ( 2019-01-29), p. 1-8
    In: Journal of Nanomaterials, Hindawi Limited, Vol. 2019 ( 2019-01-29), p. 1-8
    Abstract: Using the density functional theory, we systematically calculated the stability, electronic, and optical properties of monolayer and multilayer blue phosphorus. The results show the structures are all dynamically stable, and the gaps decrease with an increase of the number of layers. An unexpected transformation from indirect to direct band gaps is also observed as the tensile strain increases. In addition, the optical properties indicate the optical absorption peak of the material is in the ultraviolet region.
    Type of Medium: Online Resource
    ISSN: 1687-4110 , 1687-4129
    Language: English
    Publisher: Hindawi Limited
    Publication Date: 2019
    detail.hit.zdb_id: 2229480-6
    Location Call Number Limitation Availability
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  • 3
    Online Resource
    Online Resource
    Hindawi Limited ; 2020
    In:  Journal of Nanomaterials Vol. 2020 ( 2020-08-28), p. 1-6
    In: Journal of Nanomaterials, Hindawi Limited, Vol. 2020 ( 2020-08-28), p. 1-6
    Abstract: The nodal ring material has recently attracted wide attention due to its singular properties and potential applications in spintronics. Here, two-dimensional Zn 3 C 6 S 6 is calculated and discussed by using first-principle calculations. We found that two-dimensional Zn 3 C 6 S 6 can generate a nodal ring at 10% compressive strain, and the existence of the ring is proved by a partial charge density map. And as the compressive strain increases, the nodal ring does not disappear. At the same time, the stability of the electron-orbit coupling to the nodal ring is applied. Our findings indicate that the two-dimensional Zn 3 C 6 S 6 is promising in new electronic and spintronic applications.
    Type of Medium: Online Resource
    ISSN: 1687-4110 , 1687-4129
    Language: English
    Publisher: Hindawi Limited
    Publication Date: 2020
    detail.hit.zdb_id: 2229480-6
    Location Call Number Limitation Availability
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  • 4
    Online Resource
    Online Resource
    Hindawi Limited ; 2019
    In:  Journal of Nanomaterials Vol. 2019 ( 2019-10-22), p. 1-8
    In: Journal of Nanomaterials, Hindawi Limited, Vol. 2019 ( 2019-10-22), p. 1-8
    Abstract: Monolayers of transition metal ReX 2 and ReSX (X=S, Se) have been proposed as new electronic materials for nanoscale devices. In this paper, there are three structures: ReS 2 , Janus ReSSe, and ReSe 2 . Based on the first-principles theory, we analyzed the structures, electronic properties, and Fermi speed. Remarkably, we studied the stability of structures of ReS 2 , Janus ReSSe, and ReSe 2 monolayers under biaxial tensile and compressive strain by density functional approach. It is worth noting that when the strain changes, not only the band gap changes but also the band gap properties (direct and indirect) also change. The bond gaps decrease with the increase of tensile strain and compressive strain; Moreover, when the strain is greater than 0, the bond angle decreases as the strain increases, and when the strain is less than 0, the bond angle increases as the strain increases.
    Type of Medium: Online Resource
    ISSN: 1687-4110 , 1687-4129
    Language: English
    Publisher: Hindawi Limited
    Publication Date: 2019
    detail.hit.zdb_id: 2229480-6
    Location Call Number Limitation Availability
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