1
views
0
recommends
+1 Recommend
0 collections
    0
    shares
      • Record: found
      • Abstract: found
      • Article: not found

      Two-dimensional hybrid organic–inorganic perovskites as emergent ferroelectric materials

      Read this article at

      ScienceOpenPublisher
      Bookmark
          There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

          Abstract

          Hybrid organic–inorganic perovskite (HOIP) materials have attracted significant attention in photovoltaics, light emission, photodetection, etc. Based on the prototype metal halide perovskite crystal, there is a huge space for tuning the composition and crystal structure of this material, which would provide great potential to render multiple physical properties beyond the ongoing emphasis on the optoelectronic property. Recently, the two-dimensional (2D) HOIPs have emerged as a potential candidate for a new class of ferroelectrics with high Curie temperature and spontaneous polarization. Room-temperature solution-processability further makes HOIP a promising alternative to traditional oxide ferroelectrics such as BaTiO3 and PbTiO3. In this perspective, we focus on the molecular aspects of 2D HOIPs, their correlation with macroscopic properties, as well as the material design rules assisted by advanced simulation tools (e.g., machine learning and atomistic modeling techniques). The perspective provides a comprehensive discussion on the structural origin of ferroelectricity, current progress in the design of new materials, and potential opportunities and challenges with emerging materials. We expect that this perspective will provide inspiration for innovation in 2D HOIP ferroelectrics.

          Related collections

          Most cited references130

          • Record: found
          • Abstract: found
          • Article: not found

          Organometal halide perovskites as visible-light sensitizers for photovoltaic cells.

          Two organolead halide perovskite nanocrystals, CH(3)NH(3)PbBr(3) and CH(3)NH(3)PbI(3), were found to efficiently sensitize TiO(2) for visible-light conversion in photoelectrochemical cells. When self-assembled on mesoporous TiO(2) films, the nanocrystalline perovskites exhibit strong band-gap absorptions as semiconductors. The CH(3)NH(3)PbI(3)-based photocell with spectral sensitivity of up to 800 nm yielded a solar energy conversion efficiency of 3.8%. The CH(3)NH(3)PbBr(3)-based cell showed a high photovoltage of 0.96 V with an external quantum conversion efficiency of 65%.
            Bookmark
            • Record: found
            • Abstract: found
            • Article: not found

            A short history of SHELX

            An account is given of the development of the SHELX system of computer programs from SHELX -76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in SHELX , a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long. SHELXL is the most widely used program for small-molecule refinement and SHELXS and SHELXD are often employed for structure solution despite the availability of objectively superior programs. SHELXL also finds a niche for the refinement of macromolecules against high-resolution or twinned data; SHELXPRO acts as an interface for macromolecular applications. SHELXC , SHELXD and SHELXE are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for high-throughput phasing. This paper could serve as a general literature citation when one or more of the open-source SHELX programs (and the Bruker AXS version SHELXTL ) are employed in the course of a crystal-structure determination.
              Bookmark
              • Record: found
              • Abstract: not found
              • Article: not found

              Machine learning for molecular and materials science

                Bookmark

                Author and article information

                Contributors
                Journal
                Journal of Applied Physics
                AIP Publishing
                0021-8979
                1089-7550
                August 14 2020
                August 14 2020
                August 14 2020
                August 13 2020
                August 14 2020
                : 128
                : 6
                Article
                10.1063/5.0016010
                9d495c0d-a9c3-4aee-8ab8-27e3bfcf6dae
                © 2020
                History

                Comments

                Comment on this article