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Band Gap

The Experts below are selected from a list of 367632 Experts worldwide ranked by ideXlab platform

Thomas Frauenheim – 1st expert on this subject based on the ideXlab platform

  • Silicon Nanowire Band Gap Modification
    Nano Letters, 2020
    Co-Authors: Michael Nolan, Sean O'callaghan, Giorgos Fagas, James C. Greer, Thomas Frauenheim

    Abstract:

    Band Gap modification for small-diameter (∼1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct Band Gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the Band Gap, resulting in relative energy shifts of up to an electronvolt. The Band Gap shifts are traced to details of the hybridization between the silicon valence Band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.

  • Silicon nanowire Band Gap modification
    Nano Letters, 2007
    Co-Authors: Michael Nolan, Sean O'callaghan, Giorgos Fagas, James C. Greer, Thomas Frauenheim

    Abstract:

    Band Gap modification for small-diameter (approximately 1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct Band Gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the Band Gap, resulting in relative energy shifts of up to an electronvolt. The Band Gap shifts are traced to details of the hybridization between the silicon valence Band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.

Andriy Zakutayev – 2nd expert on this subject based on the ideXlab platform

  • Wide Band Gap Chalcogenide Semiconductors.
    Chemical Reviews, 2020
    Co-Authors: Rachel Woods-robinson, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin A. Persson, Andriy Zakutayev

    Abstract:

    Wide Band Gap semiconductors are essential for today’s electronic devices and energy applications because of their high optical transparency, controllable carrier concentration, and tunable electri…

  • Wide Band Gap chalcogenide semiconductors.
    arXiv: Materials Science, 2020
    Co-Authors: Rachel Woods-robinson, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin A. Persson, Andriy Zakutayev

    Abstract:

    Wide Band Gap semiconductors are essential for today’s electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories of materials that can be defined as wide Band Gap semiconductors. The most intensively investigated are transparent conductive oxides (TCOs) such as ITO and IGZO used in displays, carbides and nitrides used in power electronics, as well as emerging halides (e.g. CuI) and 2D electronic materials used in various optoelectronic devices. Chalcogen-based (S, Se, Te) wide Band Gap semiconductors are less heavily investigated but stand out due to their propensity for p-type doping, high mobilities, high valence Band positions (i.e. low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide Band Gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent conductors. We proceed to summarize progress in wide Band Gap (Eg > 2 eV) chalcogenide materials, such as II-VI MCh binaries, CuMCh2 chalcopyrites, Cu3MCh4 sulvanites, mixed anion layered CuMCh(O,F), and 2D materials, among others, and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. We finally review applications of chalcogenide wide Band Gap semiconductors, e.g. photovoltaic and photoelectrochemical solar cells, transparent transistors, and diodes, that employ wide Band Gap chalcogenides as either an active or passive layer. By examining, categorizing, and discussing prospective directions in wide Band Gap chalcogenides, this review aims to inspire continued research on this emerging class of transparent conductors and to enable future innovations for optoelectronic devices.

  • Review of wide Band Gap chalcogenide semiconductors.
    arXiv: Materials Science, 2019
    Co-Authors: Rachel Woods-robinson, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin A. Persson, Andriy Zakutayev

    Abstract:

    Wide Band Gap semiconductors are essential for today’s electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories of materials that can be defined as wide Band Gap semiconductors. The most intensively investigated are transparent conductive oxides (TCOs) such as ITO and IGZO used in displays, carbides and nitrides used in power electronics, as well as emerging halides (e.g. CuI) and 2D electronic materials used in various optoelectronic devices. Chalcogen-based (S, Se, Te) wide Band Gap semiconductors are less heavily investigated but stand out due to their propensity for p-type doping, high mobilities, high valence Band positions (i.e. low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide Band Gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent conductors. We proceed to summarize progress in wide Band Gap (Eg > 2 eV) chalcogenide materials, such as II-VI MCh binaries, CuMCh2 chalcopyrites, Cu3MCh4 sulvanites, mixed anion layered CuMCh(O,F), and 2D materials, among others, and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. We finally review applications of chalcogenide wide Band Gap semiconductors, e.g. photovoltaic and photoelectrochemical solar cells, transparent transistors, and diodes, that employ wide Band Gap chalcogenides as either an active or passive layer. By examining, categorizing, and discussing prospective directions in wide Band Gap chalcogenides, this review aims to inspire continued research on this emerging class of transparent conductors and to enable future innovations for optoelectronic devices.

Michael Nolan – 3rd expert on this subject based on the ideXlab platform

  • Silicon Nanowire Band Gap Modification
    Nano Letters, 2020
    Co-Authors: Michael Nolan, Sean O'callaghan, Giorgos Fagas, James C. Greer, Thomas Frauenheim

    Abstract:

    Band Gap modification for small-diameter (∼1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct Band Gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the Band Gap, resulting in relative energy shifts of up to an electronvolt. The Band Gap shifts are traced to details of the hybridization between the silicon valence Band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.

  • Silicon nanowire Band Gap modification
    Nano Letters, 2007
    Co-Authors: Michael Nolan, Sean O'callaghan, Giorgos Fagas, James C. Greer, Thomas Frauenheim

    Abstract:

    Band Gap modification for small-diameter (approximately 1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter wires exhibit a direct Band Gap that increases as the wire diameter narrows, irrespective of surface termination. This effect has been observed in previous experimental and theoretical studies for hydrogenated wires. For a fixed cross-section, the functional group used to saturate the silicon surface significantly modifies the Band Gap, resulting in relative energy shifts of up to an electronvolt. The Band Gap shifts are traced to details of the hybridization between the silicon valence Band and the frontier orbitals of the terminating group, which is in competition with quantum confinement.