当前位置:首页>南京>新SAM:9,9-DCz南京工业大学王芳芳、李仁志最新AM!直立取向自组装单分子层助力高效宽带隙钙钛矿及全钙钛矿叠层太阳能电池

新SAM:9,9-DCz南京工业大学王芳芳、李仁志最新AM!直立取向自组装单分子层助力高效宽带隙钙钛矿及全钙钛矿叠层太阳能电池

  • 2026-04-10 04:45:43
新SAM:9,9-DCz南京工业大学王芳芳、李仁志最新AM!直立取向自组装单分子层助力高效宽带隙钙钛矿及全钙钛矿叠层太阳能电池

大家好,欢迎关注和星标钙钛矿学习与交流!全钙钛矿叠层太阳能电池为突破单结电池的效率极限提供了极具前景的技术路径,然而宽带隙子电池的性能始终受限于界面工程的不足。其中,自组装单分子层的分子取向与堆积方式对钙钛矿薄膜的成膜质量及器件性能具有显著影响。在此,南京工业大学王芳芳、李仁志团队研究通过合理设计一系列咔唑基自组装单分子层,筛选出双咔唑核分子 9,9 - 二咔唑(9,9-DCz);该分子在ITO基底上主要呈现直立取向,与传统的平躺式排列形成鲜明对比。2026年3月28日在Advanced Materials》发表题为:“Standing up” SAMs for Efficient Wide Bandgap and All-Perovskite Tandem Solar Cells的研究成果!这种垂直构型不仅实现了更致密的表面覆盖与理想的能级匹配,还有效降低了宽带隙钙钛矿层中的非辐射复合。基于此,我们制备的宽带隙子电池(带隙 1.77 电子伏特,面积 0.0396 平方厘米)获得了 19.95% 的认证光电转换效率(最优效率 20.81%),全钙钛矿叠层器件的光电转换效率更是达到 28.59%。本研究结果表明,自组装单分子层的直立取向可作为设计高性能宽带隙钙钛矿电池与叠层钙钛矿光伏器件的有效原则。
9,9-DCz 的核心结构优势
1、双咔唑核的 3D 扭曲骨架,限制了分子的横向平移,优化了分子间间距,使其能在 ITO 基底形成稳定的直立堆积;
2、独特的双侧锚定结构,区别于传统的单侧 / 同侧双锚定设计,能同时与 ITO 基底形成强配位键、与钙钛矿层形成相互作用,实现界面锚定和缺陷钝化的双重效果;
3、溴原子的电子修饰,有效降低了分子的 HOMO 能级,实现与宽带隙钙钛矿的能级精准匹配,降低空穴注入势垒。此外,其分子偶极矩达 3.879 D 且矢量朝向钙钛矿,能形成强界面偶极层,进一步优化界面电子特性。
核心机制:
1、9,9-DCz 的直立取向实现了 ITO 基底 79% 的高覆盖率和 1.50×10¹³ molecules/cm² 的高堆积密度,消除了界面空穴,减少了缺陷位点;
2、双侧锚定结构钝化了钙钛矿埋底界面的陷阱态,XPS 证实其与钙钛矿形成配位键,直接降低了缺陷介导的非辐射复合;
3、形成的强界面偶极层将 ITO 功函数提升至 5.069 eV,优化了与钙钛矿的能级排列,降低了空穴注入势垒,提升了内建电势;
4、诱导钙钛矿形成高质量结晶膜,无 PbI₂残留,体相缺陷密度显著降低,SRH 寿命提升至 1.16 µs,大幅抑制了体相和界面的非辐射复合。最终使 Voc 损失降至 437 mV,Voc 提升至 1.333 V,非辐射复合损失(ΔVnr)相较基准器件降低约 37 mV。

器件性能和参数制备

器件结构
ITO/9,9-DCz/WBG钙钛矿/ EDAI₂+PEAI/C₆₀/BCP/Ag;全钙钛矿叠层冠军器件:ITO/9,9-DCz/WBG 钙钛矿/EDAI₂+PEAI/SnO₂/Au/PEDOT:PSS/NBG钙钛矿/EDAI₂/C₆₀/BCP/Ag
钙钛矿
宽带隙(WBG):FA₀.₈Cs₀.₂PbI₁.₈Br₁.₂
窄带隙(NBG):Cs₀.₁MA₀.₂FA₀.₇Sn₀.₅Pb₀.₅I₃
带隙
WBG:1.77 eV
VOC
WBG:1.333 V;全钙钛矿叠层:2.163 V
Jsc
叠层 WBG 子胞:16.04 mA·cm⁻²
叠层 NBG 子胞:15.87 mA·cm⁻²
FF
WBG :85.19%;全钙钛矿叠层冠军器件:82.88%
溶剂
DMF:DMSO(体积比 4:1)
反溶剂
氯苯(CB)
旋涂
WBG 钙钛矿:两步旋涂,1000 rpm×10 s,再 4000 rpm×40 sNBG 钙钛矿:两步旋涂,1000 rpm×10 s,再 4000 rpm×40 s9,9-DCz SAM:3000 rpm×30 s
反溶剂滴加时间
WBG 钙钛矿:4000 rpm 旋涂阶段的第 20 s,滴加 150 μL CBNBG 钙钛矿:4000 rpm 旋涂阶段的第 20 s,滴加 300 μL CB
上界面钝化
WBG:EDAI₂(0.5 mg/mL)+PEAI(1 mg/mL),均溶于异丙醇(IPA);4000 rpm×20 s 旋涂,90℃退火 5 minNBG:EDAI₂(0.5 mg/mL),溶于异丙醇(IPA);4000 rpm×30 s 旋涂,90℃退火 5 min
下界面
WBG:9,9-DCz SAM(0.5 mg/mL 溶于无水乙醇),3000 rpm×30 s 旋涂于 ITO 基底,100℃退火 10 minNBG:无额外下界面钝化材料,以 PEDOT:PSS 空穴传输层作为界面基底
空穴传输层
WBG 单结 / 叠层顶胞:9,9-DCz SAM(与 WBG 下界面钝化材料、制备工艺完全一致)叠层底胞:PEDOT:PSS 水溶液,4000 rpm×30 s 旋涂,150℃退火 10 min叠层互连层:原子层沉积(ALD)20 nm SnO₂ + 热蒸发 1 nm Au
电子传输层
WBG 单结 / 全钙钛矿叠层器件通用:热蒸发沉积 20 nm C₆₀ → 热蒸发沉积 7 nm BCP → 热蒸发沉积 90 nm Ag(顶电极)
DOI
10.1002/adma.202521898
文章发布时间
2026 年(接收:2025.11.04;修回:2026.03.23;录用:2026.03.24)

图文速览

作者Chongyu Zhong, Junbo Wang, Zhangsheng Shi, Wenjian Yan, Fengwei Wang, Qingyun He, Mengyang Wu, Lei Li, Xiangru Zhao, Yang Jiang, Jingya Lai, Chengcheng Li, Jiupeng Cao, Tianshi Qin, Wei Huang, Renzhi Li, Fangfang Wang

查看原文(点击底部阅读原文跳转):

https://doi.org/10.1002/adma.202521898

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  1. CONNECT:[ UseTime:0.000368s ] mysql:host=127.0.0.1;port=3306;dbname=b460;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000633s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000295s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000304s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000468s ]
  6. SELECT * FROM `set` [ RunTime:0.000193s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000574s ]
  8. SELECT * FROM `article` WHERE `id` = 519119 LIMIT 1 [ RunTime:0.002146s ]
  9. UPDATE `article` SET `lasttime` = 1777231367 WHERE `id` = 519119 [ RunTime:0.006369s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 65 LIMIT 1 [ RunTime:0.000275s ]
  11. SELECT * FROM `article` WHERE `id` < 519119 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000462s ]
  12. SELECT * FROM `article` WHERE `id` > 519119 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.001729s ]
  13. SELECT * FROM `article` WHERE `id` < 519119 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.012796s ]
  14. SELECT * FROM `article` WHERE `id` < 519119 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.003826s ]
  15. SELECT * FROM `article` WHERE `id` < 519119 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.011960s ]
0.109370s