Synchronized crystallization in tin-lead perovskite solar cells

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{
  "metadata": {
    "edited_by": 98, 
    "owner": 1435, 
    "_oai": {
      "id": "oai:materialscloud.org:2282"
    }, 
    "description": "Tin-lead halide perovskites with a bandgap near 1.2 electron-volt hold great promise for thin-film photovoltaics. However, the film quality of solution-processed Sn-Pb perovskites is compromised by the asynchronous crystallization behavior between Sn and Pb components, where the crystallization of Sn-based perovskites tends to occur faster than that of Pb. Here we show that the rapid crystallization of Sn is rooted in its stereochemically active lone pair, which impedes coordination between the metal ion and Lewis base ligands in the perovskite precursor. From this perspective, we introduce a noncovalent binding agent targeting the open metal site of coordinatively unsaturated Sn(II) solvates, thereby synchronizing crystallization kinetics and homogenizing Sn-Pb alloying. The resultant single-junction Sn-Pb perovskite solar cells achieve a certified power conversion efficiency of 24.13 per cent. The encapsulated device retains 90 per cent of the initial efficiency after 795 hours of maximum power point operation under simulated one-sun illumination. \nWe conducted DFT and AIMD simulations to study the structure and interactions of metal iodide-solvent ligand complexes. This archive contains the optimized atomic coordinates of PbI2/SnI2-ligands complexes and the initial and final configurations of AIMD trajectories.", 
    "mcid": "2024.115", 
    "id": "2282", 
    "license": "Creative Commons Attribution 4.0 International", 
    "license_addendum": null, 
    "references": [
      {
        "citation": "Yao Zhang, Chunyan Li, Haiyan Zhao, Zhongxun Yu, Xiaoan Tang, Jixiang Zhang, Zhenhua, Chen, Jianrong, Zeng, Peng Zhang, Liyuan Han, Han Chen. Synchronized crystallization in tin-lead perovskite solar cells, to be published in Nature Communications (2024)", 
        "type": "Journal reference"
      }
    ], 
    "doi": "10.24435/materialscloud:kv-g1", 
    "keywords": [
      "halide perovskite", 
      "lead iodide", 
      "tin iodide"
    ], 
    "contributors": [
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Zhang", 
        "email": "blinkdagger@sjtu.edu.cn", 
        "givennames": "Yao"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Li", 
        "givennames": "Chunyan"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Zhao", 
        "givennames": "Haiyan"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.", 
          "Shanghai Jiao Tong University JA Technology New Energy Materials Joint Research Center, Shanghai, China."
        ], 
        "familyname": "Yu", 
        "givennames": "Zhongxun"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Tang", 
        "givennames": "Xiaoan"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.", 
          "Shanghai Jiao Tong University JA Technology New Energy Materials Joint Research Center, Shanghai, China."
        ], 
        "familyname": "Zhang", 
        "givennames": "Jixiang"
      }, 
      {
        "affiliations": [
          "Shanghai Synchrotron Radiation Facility, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, China."
        ], 
        "familyname": "Chen", 
        "givennames": "Zhenhua"
      }, 
      {
        "affiliations": [
          "Shanghai Synchrotron Radiation Facility, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, China.", 
          "Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, China."
        ], 
        "familyname": "Zeng", 
        "givennames": "Jianrong"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Joint Research Center for Clean Energy Materials, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Zhang", 
        "givennames": "Peng"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Han", 
        "givennames": "Liyuan"
      }, 
      {
        "affiliations": [
          "State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai, China.", 
          "Innovation Center for Future Materials, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.", 
          "Joint Research Center for Clean Energy Materials, Shanghai Jiao Tong University, Shanghai, China."
        ], 
        "familyname": "Chen", 
        "email": "chen.han@sjtu.edu.cn", 
        "givennames": "Han"
      }
    ], 
    "conceptrecid": "2276", 
    "version": 2, 
    "publication_date": "Aug 05, 2024, 10:22:04", 
    "is_last": true, 
    "status": "published", 
    "_files": [
      {
        "size": 513, 
        "checksum": "md5:27fc22d4a0863f7b7b10d152b412b402", 
        "description": "Description of the archive structure", 
        "key": "README.txt"
      }, 
      {
        "size": 145974, 
        "checksum": "md5:149e93c87534efeb3e450ea4a31786ec", 
        "description": "atomic coordinate files", 
        "key": "atomic coordinates.zip"
      }
    ], 
    "title": "Synchronized crystallization in tin-lead perovskite solar cells"
  }, 
  "id": "2282", 
  "updated": "2024-08-05T08:27:34.756278+00:00", 
  "created": "2024-08-04T15:14:22.799184+00:00", 
  "revision": 3
}