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Thermochromic Cs2AgBiBr6 Single Crystal with Decreased Band Gap through Order-Disorder Transition
Small ( IF 13.0 ) Pub Date : 2022-05-16 , DOI: 10.1002/smll.202201943 Yaru Zhang 1, 2 , Yilong Song 3 , Yuan Lu 4 , Zhuang Zhang 1, 2 , Yang Wang 1, 2 , Yang Yang 3 , Qingfeng Dong 3 , Yi Yu 4 , Peng Qin 1, 2 , Fuqiang Huang 1, 2, 5
Small ( IF 13.0 ) Pub Date : 2022-05-16 , DOI: 10.1002/smll.202201943 Yaru Zhang 1, 2 , Yilong Song 3 , Yuan Lu 4 , Zhuang Zhang 1, 2 , Yang Wang 1, 2 , Yang Yang 3 , Qingfeng Dong 3 , Yi Yu 4 , Peng Qin 1, 2 , Fuqiang Huang 1, 2, 5
Affiliation
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Lead-free Cs2AgBiBr6 double perovskite is considered to be a promising alternative to the traditional lead-based analogues due to its long carrier lifetime, high structural stability, and non-toxicity. However, the large band gap limits its absorption of visible light, which is not conducive to further optoelectronic applications. Herein, a thermochromic strategy is reported to decrease the band gap of Cs2AgBiBr6 by approximately 0.36 eV, obtaining the smallest reported band gap of 1.69 eV under ambient conditions. The experimental data indicate that after annealing the Cs2AgBiBr6 single crystals at 400 °C, the silver (Ag) and bismuth (Bi) atoms occupy the B-site in a random way and form a partially disordered configuration. The formation of the antisite defects broadens the band edges and decreases the band gap. This work offers new insights into the preparation of narrow band gap lead-free double perovskites, and a deep understanding of their structural and electronic properties for further development in photoelectric devices.
中文翻译：
通过有序-无序跃迁减小带隙的热致变色 Cs2AgBiBr6 单晶
无铅Cs 2 AgBiBr 6双钙钛矿因其载流子寿命长、结构稳定性高和无毒等优点，被认为是传统铅基类似物的一种有前途的替代品。然而，较大的带隙限制了其对可见光的吸收，不利于进一步的光电应用。在此，据报道，一种热致变色策略可将 Cs 2 AgBiBr 6的带隙降低约 0.36 eV，在环境条件下获得 1.69 eV 的最小带隙。实验数据表明，Cs 2 AgBiBr 6退火后单晶在 400 °C 时，银 (Ag) 和铋 (Bi) 原子以随机方式占据 B 位并形成部分无序构型。反位缺陷的形成拓宽了能带边缘并减小了带隙。这项工作为制备窄带隙无铅双钙钛矿提供了新的见解，并深入了解了它们的结构和电子特性，以进一步开发光电器件。
更新日期：2022-05-16
中文翻译：
通过有序-无序跃迁减小带隙的热致变色 Cs2AgBiBr6 单晶
无铅Cs 2 AgBiBr 6双钙钛矿因其载流子寿命长、结构稳定性高和无毒等优点，被认为是传统铅基类似物的一种有前途的替代品。然而，较大的带隙限制了其对可见光的吸收，不利于进一步的光电应用。在此，据报道，一种热致变色策略可将 Cs 2 AgBiBr 6的带隙降低约 0.36 eV，在环境条件下获得 1.69 eV 的最小带隙。实验数据表明，Cs 2 AgBiBr 6退火后单晶在 400 °C 时，银 (Ag) 和铋 (Bi) 原子以随机方式占据 B 位并形成部分无序构型。反位缺陷的形成拓宽了能带边缘并减小了带隙。这项工作为制备窄带隙无铅双钙钛矿提供了新的见解，并深入了解了它们的结构和电子特性，以进一步开发光电器件。
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