High-mobility semiconducting polymers with different spin ground states


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{
  "metadata": {
    "is_last": true, 
    "publication_date": "Apr 01, 2022, 15:17:14", 
    "edited_by": 576, 
    "version": 1, 
    "license": "Creative Commons Attribution 4.0 International", 
    "license_addendum": null, 
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        "description": "Open data for Fig. S1-3 in the SI. Fig. S1:DFT calculations for the evaluation of polymer building block planarity. Fig. S2-3: The thermal stability, cyclic voltammograms, and inductively coupled plasma (ICP) emission spectroscopy for the trace metal analysis of the polymers"
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    ], 
    "mcid": "2022.46", 
    "keywords": [
      "Organic semiconductor", 
      "High-spin materials", 
      "High-mobility polymers"
    ], 
    "contributors": [
      {
        "givennames": "Xiao-Xiang", 
        "email": "xiaoxiangchen@pku.edu.cn", 
        "familyname": "Chen", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China.", 
          "College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Jia-Tong", 
        "email": "guatong@pku.edu.cn", 
        "familyname": "Li", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Yu-Hui", 
        "email": "yhfang@pku.edu.cn", 
        "familyname": "Fang", 
        "affiliations": [
          "College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Xin-Yu", 
        "email": "xinyudeng@stu.pku.edu.cn", 
        "familyname": "Deng", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Xue-Qing", 
        "email": "xqwang@stu.pku.edu.cn", 
        "familyname": "Wang", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Guangchao", 
        "email": "gcliu@pku.edu.cn", 
        "familyname": "Liu", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China."
        ]
      }, 
      {
        "givennames": "Yunfei", 
        "email": "yunfei.wang@usm.edu", 
        "familyname": "Wang", 
        "affiliations": [
          "School of Polymer Science and Engineering, Center for Optoelectronic Materials and Devices, The University of Southern Mississippi, Hattiesburg, MS 39406, USA."
        ]
      }, 
      {
        "givennames": "Xiaodan", 
        "email": "xiaodan.gu@usm.edu", 
        "familyname": "Gu", 
        "affiliations": [
          "School of Polymer Science and Engineering, Center for Optoelectronic Materials and Devices, The University of Southern Mississippi, Hattiesburg, MS 39406, USA."
        ]
      }, 
      {
        "givennames": "Shang-Da", 
        "email": "jiangsd@scut.edu.cn", 
        "familyname": "Jiang", 
        "affiliations": [
          "School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, China."
        ]
      }, 
      {
        "givennames": "Ting", 
        "email": "tinglei@pku.edu.cn", 
        "familyname": "Lei", 
        "affiliations": [
          "Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China.", 
          "Beijing Key Laboratory for Magnetoelectric Materials and Devices, Peking University, Beijing 100871, China."
        ]
      }
    ], 
    "status": "published", 
    "doi": "10.24435/materialscloud:58-27", 
    "title": "High-mobility semiconducting polymers with different spin ground states", 
    "id": "1300", 
    "description": "Organic semiconductors with high-spin ground states are fascinating because they could enable fundamental understanding on the spin-related phenomenon in light element and provide opportunities for organic magnetic and quantum materials. Although high-spin ground states have been observed in some quinoidal type small molecules or doped organic semiconductors, semiconducting polymers with high-spin at their neutral ground state are rarely reported. Here we report three high-mobility semiconducting polymers with different spin ground states. We show that polymer building blocks with small singlet-triplet energy gap (\u0394ES-T) could enable small \u0394ES-T gap and increase the diradical character in copolymers. We demonstrate that the electronic structure, spin density, and solid-state interchain interactions in the high-spin polymers are crucial for their ground states. Polymers with a triplet ground state (S = 1) could exhibit doublet (S = 1/2) behavior due to different spin distributions and solid-state interchain spin-spin interactions. Besides, these polymers showed outstanding charge transport properties with high hole/electron mobilities and can be both n- and p-doped with superior conductivities. Our results demonstrate a rational approach to high-mobility semiconducting polymers with different spin ground states.", 
    "owner": 718, 
    "_oai": {
      "id": "oai:materialscloud.org:1300"
    }, 
    "conceptrecid": "1299", 
    "references": [
      {
        "doi": "", 
        "url": "https://www.researchsquare.com/article/rs-764062/v1", 
        "comment": "Preprint where the data is discussed. This paper has been accepted by Nature Communications.", 
        "citation": "Xiao-Xiang Chen, Jia-Tong Li, Yu-Hui Fang, Xin-Yu Deng, Xue-Qing Wang, Guangchao Liu, Yunfei Wang, Xiaodan Gu, Shang-Da Jiang, Ting Lei, Nature Communication, (2022). (Accepted)", 
        "type": "Journal reference"
      }
    ]
  }, 
  "updated": "2022-04-01T13:17:14.078276+00:00", 
  "revision": 12, 
  "id": "1300", 
  "created": "2022-03-29T13:42:46.200827+00:00"
}