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首页> 外文期刊>Journal of Applied Physics >Extrinsic dopants in quasi-one-dimensional photovoltaic semiconductor Sb_2S_3: A first-principles study
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Extrinsic dopants in quasi-one-dimensional photovoltaic semiconductor Sb_2S_3: A first-principles study

机译：准一维光伏半导体SB_2S_3中的外在掺杂剂：第一原理研究

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Extrinsic elements such as C, Zn, Sn, Bi, and Ti had been doped into Sb_2S_3 in order to increase the electrical conductivity and thus the photovoltaic efficiency. However, the influences of these dopants are so far unclear. Using the first-principles calculations, we show that (i) Zn and Sn doping can slightly increase the p-type conductivity of Sb_2S_3 through forming Zn_(Sb2) and Sn_(Sb2) acceptors, explaining the observed increase in photocurrent and carrier concentration; (ⅱ) in contrast, the formation energies of C dopants on different sites are high, which means C doping cannot increase the conductivity of Sb_2S_3 obviously, so the highly reduced resistivity of C-doped Sb_2S_3 in experiments cannot be explained and the effects of C doping should be revisited; (ⅲ) Bi_i acts as the carrier recombination center, so the photocurrent of the Bi-doped Sb_2S_3 solar cells decreases; and (ⅳ) the formation energies (concentration) of Ti_i and Ti_(Sb1) donors are extremely low (high), so the photocurrent of the Ti doped Sb_2S_3 solar cells increases significantly. Considering the influences on both electrical conductivity and carrier non-radiative recombination, we propose that Pb and Cl are relatively benign p-type and n-type dopants, respectively. Cl doping can make Sb_2S_3 show high n-type conductivity and long minority carrier lifetime, thus offering a promising method for overcoming the current efficiency bottleneck of Sb_2S_3 solar cells.
机译：外部元素如C，Zn，Sn，Bi和Ti被掺杂到SB_2S_3中，以增加电导率并因此增加光伏效率。然而，这些掺杂剂对这些掺杂剂的影响迄今为止尚不清楚。使用第一原理计算，我们表明（i）Zn和Sn掺杂可以通过形成Zn_（SB2）和Sn_（SB2）受体略微增加SB_2S_3的p型导电性，解释观察到的光电流和载流子浓度的增加; （Ⅱ）相反，不同部位C掺杂剂的形成能量高，这意味着C掺杂明显不能增加Sb_2S_3的电导率，因此不能解释实验中的C掺杂SB_2S_3的高度降低的电阻率和C的效果兴奋剂应重新审视; （Ⅲ）Bi_i用作载体重组中心，因此双掺杂Sb_2S_3太阳能电池的光电流降低; （ⅳ）Ti_I和Ti_（SB1）供体的形成能量（浓度）极低（高），因此Ti掺杂SB_2S_3太阳能电池的光电流显着增加。考虑到对电导率和载体非辐射重组的影响，我们提出了Pb和Cl是相对良性的p型和n型掺杂剂。 CL掺杂可以使SB_2S_3显示出高N型电导率和长少数载波寿命，从而提供了一种克服SB_2S_3太阳能电池的电流效率瓶颈的有希望的方法。

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  • 来源
    《Journal of Applied Physics》 |2020年第18期|183101.1-183101.8|共8页
  • 作者

    Zenghua Cai; Shiyou Chen;

  • 作者单位

    Key Laboratory of Polar Materials and Devices (MOE) Department of Electronics East China Normal University Shanghai 200241 China;

    Key Laboratory of Polar Materials and Devices (MOE) Department of Electronics East China Normal University Shanghai 200241 China Collaborative Innovation Center of Extreme Optics Shanxi University Shanxi 030006 China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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