当前位置：
X-MOL 学术
›
J. Am. Chem. Soc.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Zwitterions in 3D Perovskites: Organosulfide-Halide Perovskites
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2022-11-23 , DOI: 10.1021/jacs.2c09382 Jiayi Li 1 , Zhihengyu Chen 2 , Santanu Saha 3 , James K Utterback 4 , Michael L Aubrey 1 , Rongfeng Yuan 4 , Hannah L Weaver 4 , Naomi S Ginsberg 4, 5, 6, 7, 8 , Karena W Chapman 2 , Marina R Filip 3 , Hemamala I Karunadasa 1, 9
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2022-11-23 , DOI: 10.1021/jacs.2c09382 Jiayi Li 1 , Zhihengyu Chen 2 , Santanu Saha 3 , James K Utterback 4 , Michael L Aubrey 1 , Rongfeng Yuan 4 , Hannah L Weaver 4 , Naomi S Ginsberg 4, 5, 6, 7, 8 , Karena W Chapman 2 , Marina R Filip 3 , Hemamala I Karunadasa 1, 9
Affiliation
|
Although sulfide perovskites usually require high-temperature syntheses, we demonstrate that organosulfides can be used in the milder syntheses of halide perovskites. The zwitterionic organosulfide, cysteamine (CYS; +NH3(CH2)2S–), serves as both the X– site and A+ site in the ABX3 halide perovskites, yielding the first examples of 3D organosulfide-halide perovskites: (CYS)PbX2 (X– = Cl– or Br–). Notably, the band structures of (CYS)PbX2 capture the direct bandgaps and dispersive bands of APbX3 perovskites. The sulfur orbitals compose the top of the valence band in (CYS)PbX2, affording unusually small direct bandgaps of 2.31 and 2.16 eV for X– = Cl– and Br–, respectively, falling in the ideal range for the top absorber in a perovskite-based tandem solar cell. Measurements of the carrier dynamics in (CYS)PbCl2 suggest carrier trapping due to defects or lattice distortions. The highly desirable bandgaps, band dispersion, and improved stability of the organosulfide perovskites demonstrated here motivate the continued expansion and exploration of this new family of materials, particularly with respect to extracting photocurrent. Our strategy of combining the A+ and X– sites with zwitterions may offer more members in this family of mixed-anion 3D hybrid perovskites.
中文翻译：
3D 钙钛矿中的两性离子：有机硫化物-卤化物钙钛矿
尽管硫化物钙钛矿通常需要高温合成，但我们证明有机硫化物可以用于卤化物钙钛矿的温和合成。两性离子有机硫化物半胱胺 (CYS; + NH 3 (CH 2 ) 2 S – ) 充当ABX 3卤化物钙钛矿中的 X –位点和 A +位点，产生 3D 有机硫化物-卤化物钙钛矿的第一个例子：( CYS)PbX 2 (X – = Cl –或 Br – )。值得注意的是，(CYS)PbX 2的能带结构捕获了 APbX 的直接带隙和色散带3钙钛矿。硫轨道构成 (CYS)PbX 2的价带顶部，对于 X – = Cl –和 Br –分别提供异常小的直接带隙 2.31 和 2.16 eV，落在顶部吸收剂的理想范围内基于钙钛矿的串联太阳能电池。(CYS)PbCl 2中载流子动力学的测量表明由于缺陷或晶格畸变而导致载流子捕获。这里展示的有机硫化物钙钛矿非常理想的带隙、能带色散和改进的稳定性激发了这一新材料系列的持续扩展和探索，特别是在提取光电流方面。我们的A +结合策略和 X -具有两性离子的位点可能会在这个混合阴离子 3D 杂化钙钛矿家族中提供更多成员。
更新日期：2022-11-23
中文翻译：
3D 钙钛矿中的两性离子：有机硫化物-卤化物钙钛矿
尽管硫化物钙钛矿通常需要高温合成，但我们证明有机硫化物可以用于卤化物钙钛矿的温和合成。两性离子有机硫化物半胱胺 (CYS; + NH 3 (CH 2 ) 2 S – ) 充当ABX 3卤化物钙钛矿中的 X –位点和 A +位点，产生 3D 有机硫化物-卤化物钙钛矿的第一个例子：( CYS)PbX 2 (X – = Cl –或 Br – )。值得注意的是，(CYS)PbX 2的能带结构捕获了 APbX 的直接带隙和色散带3钙钛矿。硫轨道构成 (CYS)PbX 2的价带顶部，对于 X – = Cl –和 Br –分别提供异常小的直接带隙 2.31 和 2.16 eV，落在顶部吸收剂的理想范围内基于钙钛矿的串联太阳能电池。(CYS)PbCl 2中载流子动力学的测量表明由于缺陷或晶格畸变而导致载流子捕获。这里展示的有机硫化物钙钛矿非常理想的带隙、能带色散和改进的稳定性激发了这一新材料系列的持续扩展和探索，特别是在提取光电流方面。我们的A +结合策略和 X -具有两性离子的位点可能会在这个混合阴离子 3D 杂化钙钛矿家族中提供更多成员。
京公网安备 11010802027423号