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@ARTICLE{Yao:454549,
      author       = {Yao, Zhaoyang and Zhang, Fuguo and Guo, Yaxiao and Wu, Heng
                      and He, Lanlan and Liu, Zhou and Cai, Bin and Guo, Yu and
                      Brett, Calvin and Li, Yuanyuan and Srambickal, Chinmaya
                      Venugopal and Yang, Xichuan and Chen, Gang and Widengren,
                      Jerker and Liu, Dianyi and Gardner, James M. and Kloo, Lars
                      and Sun, Licheng},
      title        = {{C}onformational and {C}ompositional {T}uning of
                      {P}henanthrocarbazole-{B}ased {D}opant-{F}ree
                      {H}ole-{T}ransport {P}olymers {B}oosting the {P}erformance
                      of {P}erovskite {S}olar {C}ells},
      journal      = {Journal of the American Chemical Society},
      volume       = {142},
      number       = {41},
      issn         = {1520-5126},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2021-00600},
      pages        = {17681 - 17692},
      year         = {2020},
      abstract     = {Conjugated polymers are regarded as promising candidates
                      for dopant-free hole-transport materials (HTMs) in efficient
                      and stable perovskite solar cells (PSCs). Thus far, the vast
                      majority of polymeric HTMs feature structurally complicated
                      benzo[1,2-b:4,5-b’]dithiophene (BDT) analogs and
                      electron-withdrawing heterocycles, forming a strong
                      donor–acceptor (D–A) structure. Herein, a new class of
                      phenanthrocarbazole (PC)-based polymeric HTMs (PC1, PC2, and
                      PC3) has been synthesized by inserting a PC unit into a
                      polymeric thiophene or selenophene chain with the aim of
                      enhancing the $π–π$ stacking of adjacent polymer chains
                      and also to efficiently interact with the perovskite surface
                      through the broad and planar conjugated backbone of the PC.
                      Suitable energy levels, excellent thermostability, and
                      humidity resistivity together with remarkable photoelectric
                      properties are obtained via meticulously tuning the
                      conformation and elemental composition of the polymers. As a
                      result, PSCs containing PC3 as dopant-free HTM show a
                      stabilized power conversion efficiency (PCE) of 20.8\% and
                      significantly enhanced longevity, rendering one of the best
                      types of PSCs based on dopant-free HTMs. Subsequent
                      experimental and theoretical studies reveal that the planar
                      conformation of the polymers contributes to an ordered and
                      face-on stacking of the polymer chains. Furthermore,
                      introduction of the “Lewis soft” selenium atom can
                      passivate surface trap sites of perovskite films by Pb–Se
                      interaction and facilitate the interfacial charge separation
                      significantly. This work reveals the guiding principles for
                      rational design of dopant-free polymeric HTMs and also
                      inspires rational exploration of small molecular HTMs.},
      cin          = {FS-PET-D / CFEL-AO},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-PET-D-20190712 / I:(DE-H253)CFEL-AO-20160914},
      pnm          = {6213 - Materials and Processes for Energy and Transport
                      Technologies (POF3-621)},
      pid          = {G:(DE-HGF)POF3-6213},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:32924464},
      UT           = {WOS:000579400400055},
      doi          = {10.1021/jacs.0c08352},
      url          = {https://bib-pubdb1.desy.de/record/454549},
}