Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals
Recently, the structural stability of all-inorganic halide perovskite nanocrystals has been significantly enhanced. To understand the enhancement, we developed surface-passivation models for cubic CsPbBr3 nanocrystals with anionic (oleate) and cationic (oleylammonium) organic ligands based on first-...
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| Veröffentlicht in: | The journal of physical chemistry letters 2020-02, Vol.11 (3), p.652-658 |
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| container_title | The journal of physical chemistry letters |
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| creator | Yoo, Dongsuk Woo, Ju Young Kim, Youngsik Kim, Sun Won Wei, Su-Huai Jeong, Sohee Kim, Yong-Hyun |
| description | Recently, the structural stability of all-inorganic halide perovskite nanocrystals has been significantly enhanced. To understand the enhancement, we developed surface-passivation models for cubic CsPbBr3 nanocrystals with anionic (oleate) and cationic (oleylammonium) organic ligands based on first-principles calculations and nuclear magnetic resonance investigations. We propose that the (100) surface is initially terminated with oleate ligand complexes on PbBr2(100) surfaces. Also, the ligand transition to oleylammonium on the Pb-rich surfaces is expected due to the addition of metal halides (ZnBr2) during colloidal synthesis. The significant improvement in the structural stability of the cationic ligand-passivated CsPbBr3 nanocrystals was attributed to the suppressed exposure of the merging-vulnerable (110) surface, caused by the large difference in formation energy between the ligand-passivated (100) and Br-passivated (110) surfaces. |
| doi_str_mv | 10.1021/acs.jpclett.9b03600 |
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The significant improvement in the structural stability of the cationic ligand-passivated CsPbBr3 nanocrystals was attributed to the suppressed exposure of the merging-vulnerable (110) surface, caused by the large difference in formation energy between the ligand-passivated (100) and Br-passivated (110) surfaces.</description><identifier>ISSN: 1948-7185</identifier><identifier>EISSN: 1948-7185</identifier><identifier>DOI: 10.1021/acs.jpclett.9b03600</identifier><identifier>PMID: 31912739</identifier><language>eng</language><publisher>WASHINGTON: American Chemical Society</publisher><subject>Chemistry ; Chemistry, Physical ; Materials Science ; Materials Science, Multidisciplinary ; Nanoscience & Nanotechnology ; Physical Sciences ; Physics ; Physics, Atomic, Molecular & Chemical ; Science & Technology ; Science & Technology - Other Topics ; Technology</subject><ispartof>The journal of physical chemistry letters, 2020-02, Vol.11 (3), p.652-658</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>true</woscitedreferencessubscribed><woscitedreferencescount>35</woscitedreferencescount><woscitedreferencesoriginalsourcerecordid>wos000512223400009</woscitedreferencesoriginalsourcerecordid><citedby>FETCH-LOGICAL-a411t-e52054d571d45c85de62e34bc9dab2a6e1839ceb6167557ff815afeb0aed2fda3</citedby><cites>FETCH-LOGICAL-a411t-e52054d571d45c85de62e34bc9dab2a6e1839ceb6167557ff815afeb0aed2fda3</cites><orcidid>0000-0003-4255-2068 ; 0000-0003-2387-2066 ; 0000-0003-1563-4738 ; 0000-0002-9863-1374</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/acs.jpclett.9b03600$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.jpclett.9b03600$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>315,781,785,2766,27080,27928,27929,56742,56792</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31912739$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Yoo, Dongsuk</creatorcontrib><creatorcontrib>Woo, Ju Young</creatorcontrib><creatorcontrib>Kim, Youngsik</creatorcontrib><creatorcontrib>Kim, Sun Won</creatorcontrib><creatorcontrib>Wei, Su-Huai</creatorcontrib><creatorcontrib>Jeong, Sohee</creatorcontrib><creatorcontrib>Kim, Yong-Hyun</creatorcontrib><title>Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals</title><title>The journal of physical chemistry letters</title><addtitle>J PHYS CHEM LETT</addtitle><addtitle>J. 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The significant improvement in the structural stability of the cationic ligand-passivated CsPbBr3 nanocrystals was attributed to the suppressed exposure of the merging-vulnerable (110) surface, caused by the large difference in formation energy between the ligand-passivated (100) and Br-passivated (110) surfaces.</description><subject>Chemistry</subject><subject>Chemistry, Physical</subject><subject>Materials Science</subject><subject>Materials Science, Multidisciplinary</subject><subject>Nanoscience & Nanotechnology</subject><subject>Physical Sciences</subject><subject>Physics</subject><subject>Physics, Atomic, Molecular & Chemical</subject><subject>Science & Technology</subject><subject>Science & Technology - Other Topics</subject><subject>Technology</subject><issn>1948-7185</issn><issn>1948-7185</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>AOWDO</sourceid><recordid>eNqNkd1u1DAQhS0EoqXwBEjIl0goW__E-blcRdBWWtFKLdeRY4-LS2IvtlO0L9LnxbtZKq4QV3Ok-c7MaA5C7ylZUcLouVRx9bBVI6S0agfCK0JeoFPalk1R00a8_EufoDcxPhBStaSpX6MTTlvKat6eoqfrYO-tw97g9B3wbZKDHW3aYek0vgvSRZusd9gEP-G1y9IqnDzuZFr07RyMVIA39n5vuZEx2sdDcz9zPY7FlfMh9zLbQbTzhDcgNb6Uo9WAbyD4x_jDJsBfpfMq7GKSY3yLXplc4N2xnqFvXz7fdZfF5vriqltvCllSmgoQjIhSi5rqUqhGaKgY8HJQrZYDkxXQhrcKhopWtRC1MQ0V0sBAJGhmtORn6OMydxv8zxli6icbFYyjdODn2DPOy5pQWrGM8gVVwccYwPTbYCcZdj0l_T6QPgfSHwPpj4Fk14fjgnmYQD97_iSQgU8L8AsGb6Ky4BQ8Y4QQQRljvMyK7Onm_-nOpkMQnZ9dytbzxXo408_B5cf-8_bfONC9xQ</recordid><startdate>20200206</startdate><enddate>20200206</enddate><creator>Yoo, Dongsuk</creator><creator>Woo, Ju Young</creator><creator>Kim, Youngsik</creator><creator>Kim, Sun Won</creator><creator>Wei, Su-Huai</creator><creator>Jeong, Sohee</creator><creator>Kim, Yong-Hyun</creator><general>American Chemical Society</general><general>Amer Chemical Soc</general><scope>AOWDO</scope><scope>BLEPL</scope><scope>DTL</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-4255-2068</orcidid><orcidid>https://orcid.org/0000-0003-2387-2066</orcidid><orcidid>https://orcid.org/0000-0003-1563-4738</orcidid><orcidid>https://orcid.org/0000-0002-9863-1374</orcidid></search><sort><creationdate>20200206</creationdate><title>Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals</title><author>Yoo, Dongsuk ; Woo, Ju Young ; Kim, Youngsik ; Kim, Sun Won ; Wei, Su-Huai ; Jeong, Sohee ; Kim, Yong-Hyun</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a411t-e52054d571d45c85de62e34bc9dab2a6e1839ceb6167557ff815afeb0aed2fda3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Chemistry</topic><topic>Chemistry, Physical</topic><topic>Materials Science</topic><topic>Materials Science, Multidisciplinary</topic><topic>Nanoscience & Nanotechnology</topic><topic>Physical Sciences</topic><topic>Physics</topic><topic>Physics, Atomic, Molecular & Chemical</topic><topic>Science & Technology</topic><topic>Science & Technology - Other Topics</topic><topic>Technology</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yoo, Dongsuk</creatorcontrib><creatorcontrib>Woo, Ju Young</creatorcontrib><creatorcontrib>Kim, Youngsik</creatorcontrib><creatorcontrib>Kim, Sun Won</creatorcontrib><creatorcontrib>Wei, Su-Huai</creatorcontrib><creatorcontrib>Jeong, Sohee</creatorcontrib><creatorcontrib>Kim, Yong-Hyun</creatorcontrib><collection>Web of Science - Science Citation Index Expanded - 2020</collection><collection>Web of Science Core Collection</collection><collection>Science Citation Index Expanded</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>The journal of physical chemistry letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yoo, Dongsuk</au><au>Woo, Ju Young</au><au>Kim, Youngsik</au><au>Kim, Sun Won</au><au>Wei, Su-Huai</au><au>Jeong, Sohee</au><au>Kim, Yong-Hyun</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals</atitle><jtitle>The journal of physical chemistry letters</jtitle><stitle>J PHYS CHEM LETT</stitle><addtitle>J. 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| title | Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals |
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