Enhanced Light Emission through Symmetry Engineering of Halide Perovskites
Metal-halide perovskites (MHPs) have attracted tremendous attention as active materials in optoelectronic devices. For light-emitting diode (LED) applications, nanostructuring of MHPs is considered to be inevitable, but its light-enhancement mechanism is still elusive because the particle (or grain)...
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Veröffentlicht in: | Journal of the American Chemical Society 2022-01, Vol.144 (1), p.297-305 |
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creator | Ha, Yoonhoo Park, Jong-Goo Hong, Ki-Ha Kim, Hyungjun |
description | Metal-halide perovskites (MHPs) have attracted tremendous attention as active materials in optoelectronic devices. For light-emitting diode (LED) applications, nanostructuring of MHPs is considered to be inevitable, but its light-enhancement mechanism is still elusive because the particle (or grain) size is often beyond the quantum confinement regime. As motivated by the experimental finding that the nanostructuring can change the preferred crystalline symmetry from the orthorhombic phase to the high-symmetric cubic phase, we here investigated the carrier dynamics in various polymorphic phases of CsPbBr3 using ab initio quantum dynamics simulation. We found that the cubic phase shows a smaller inelastic phonon scattering than the orthorhombic phase; the suppression of the octahedral tilt minimizes the longitudinal Br fluctuation and helps disentangle the A-site cation dynamics from the nonadiabatic carrier dynamics. We thus anticipate that our present work will offer a material design principle to enhance the quantum yield of MHPs via symmetry engineering, which will help develop highly luminescent LED technology based on MHPs. |
doi_str_mv | 10.1021/jacs.1c09891 |
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For light-emitting diode (LED) applications, nanostructuring of MHPs is considered to be inevitable, but its light-enhancement mechanism is still elusive because the particle (or grain) size is often beyond the quantum confinement regime. As motivated by the experimental finding that the nanostructuring can change the preferred crystalline symmetry from the orthorhombic phase to the high-symmetric cubic phase, we here investigated the carrier dynamics in various polymorphic phases of CsPbBr3 using ab initio quantum dynamics simulation. We found that the cubic phase shows a smaller inelastic phonon scattering than the orthorhombic phase; the suppression of the octahedral tilt minimizes the longitudinal Br fluctuation and helps disentangle the A-site cation dynamics from the nonadiabatic carrier dynamics. We thus anticipate that our present work will offer a material design principle to enhance the quantum yield of MHPs via symmetry engineering, which will help develop highly luminescent LED technology based on MHPs.</description><identifier>ISSN: 0002-7863</identifier><identifier>EISSN: 1520-5126</identifier><identifier>DOI: 10.1021/jacs.1c09891</identifier><identifier>PMID: 34958207</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><ispartof>Journal of the American Chemical Society, 2022-01, Vol.144 (1), p.297-305</ispartof><rights>2021 American Chemical Society</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a324t-9dfda2908ce80550f47faa56d8c19cf44511113881e630e218d5abc454130fd43</citedby><cites>FETCH-LOGICAL-a324t-9dfda2908ce80550f47faa56d8c19cf44511113881e630e218d5abc454130fd43</cites><orcidid>0000-0001-5078-9327 ; 0000-0001-8261-9381 ; 0000-0002-6634-6544 ; 0000-0001-7457-8196</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/jacs.1c09891$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/jacs.1c09891$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,777,781,2752,27057,27905,27906,56719,56769</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/34958207$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Ha, Yoonhoo</creatorcontrib><creatorcontrib>Park, Jong-Goo</creatorcontrib><creatorcontrib>Hong, Ki-Ha</creatorcontrib><creatorcontrib>Kim, Hyungjun</creatorcontrib><title>Enhanced Light Emission through Symmetry Engineering of Halide Perovskites</title><title>Journal of the American Chemical Society</title><addtitle>J. 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title | Enhanced Light Emission through Symmetry Engineering of Halide Perovskites |
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