孔移动性的限制和铜化物中兴奋剂
Joe Willis1,2, Romain Claes3, Qi Zhou1,2
1Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
Chemistry of materials : a publication of the American Chemical Society
|November 29, 2023
概括
铜化物 (CuI) 电荷运输的理解很少. 这项研究揭示了声子散射在室温下将孔的移动性限制在162厘米2V-1s-1,影响设备性能.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 固态化学 固态化学
背景情况:
- 酸铜 (CuI) 是一种p型透明导电材料,在一个多世纪前被发现.
- 尽管它有着悠久的历史,但对其收费运输机制的基本理解仍然有限.
- 调查CuI对于推进透明导电材料和光电子设备至关重要.
研究的目的:
- 为了阐明铜化物 (CuI) 中的电荷传输机制.
- 为了确定各种载体度的孔移动性的限制.
- 探索CuI.中的外部剂的缺陷化学和潜力.
主要方法:
- 利用各种先进的建模技术来模拟电荷传输特性.
- 使用混合功能来调查CuI.I.的缺陷化学.
- 分析散射机制,包括电离杂质和声子散射.
- 研究了素 (S,Se) 兴奋剂对缺陷水平的影响.
主要成果:
- 鉴定了低电介质反应,导致在高兴奋剂水平下电离杂质的散射.
- 确定了以低载体度为主导机制的声子散射.
- 预测在室温下,声子受限孔的移动性为162厘米V-1s-1.
- 由于局部洞穴,揭示了铜空缺作为电荷载体的主要来源.
- 发现S和Se兴奋剂不太可能是高效的电子受体,由于深度过渡水平.
结论:
- 子散射显著限制了CuI中的孔流动性,特别是在较低的载体度下.
- 缺陷化学表明铜空缺是p型导电性的主要内在来源.
- 用S或Se的外部兴奋剂不太可能在CuI中产生有效的n型行为.
- 了解这些机制对于优化基于CuI的设备至关重要.
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