{"id":2711,"date":"2023-09-19T21:10:07","date_gmt":"2023-09-19T13:10:07","guid":{"rendered":"http:\/\/ustb.cc\/zh\/?p=2711"},"modified":"2023-09-20T10:51:32","modified_gmt":"2023-09-20T02:51:32","slug":"second-harmonic-generation-from-symmetry-breaking-stimulated-by-mixed-organic-cations-in-zero-dimensional-hybrid-metal-halides%e2%80%a0-2","status":"publish","type":"post","link":"http:\/\/ustb.cc\/zh\/second-harmonic-generation-from-symmetry-breaking-stimulated-by-mixed-organic-cations-in-zero-dimensional-hybrid-metal-halides%e2%80%a0-2\/","title":{"rendered":"Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides\u2020"},"content":{"rendered":"\n<p class=\"has-small-font-size\"><em><strong><br>Dalton Trans.<\/strong><\/em>, 2023,<strong>52<\/strong>, 9368-9376, <a href=\"https:\/\/doi.org\/10.1039\/D3DT01209C\">https:\/\/doi.org\/10.1039\/D3DT01209C<\/a><\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-large\"><img decoding=\"async\" src=\"https:\/\/pubs.rsc.org\/en\/Image\/Get?imageInfo.ImageType=GA&amp;imageInfo.ImageIdentifier.ManuscriptID=D3DT01209C&amp;imageInfo.ImageIdentifier.Year=2023\" alt=\"\"\/><\/figure>\n<\/div>\n\n\n<p>Mixing cations with different chemical properties to induce the generation of asymmetric structures is a new approach for tuning the optical properties of hybrid organic\u2013inorganic metal halides (HOIMHs). In this study, zero-dimensional (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)MBr<small><sub>6<\/sub><\/small>&nbsp;(M = Bi\/Sb, [C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>]<small><sup>2+<\/sup><\/small>&nbsp;= [(C<small><sub>4<\/sub><\/small>N<small><sub>2<\/sub><\/small>H<small><sub>10<\/sub><\/small>)(C<small><sub>5<\/sub><\/small>NH<small><sub>5<\/sub><\/small>)]<small><sup>2+<\/sup><\/small>&nbsp;and [C<small><sub>9<\/sub><\/small>H<small><sub>14<\/sub><\/small>SO]<small><sup>+<\/sup><\/small>&nbsp;= [CH<small><sub>3<\/sub><\/small>(C<small><sub>6<\/sub><\/small>H<small><sub>4<\/sub><\/small>)OS(CH<small><sub>3<\/sub><\/small>)<small><sub>2<\/sub><\/small>]<small><sup>+<\/sup><\/small>) are synthesized. Two different cations cause both compounds to crystallize in the polar space group&nbsp;<em>P<\/em>2<small><sub>1<\/sub><\/small>2<small><sub>1<\/sub><\/small>2<small><sub>1<\/sub><\/small>, thus resulting in significant phase matchable second harmonic generation under a 1064 nm laser excitation. Thus, (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)BiBr<small><sub>6<\/sub><\/small>&nbsp;and (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)SbBr<small><sub>6<\/sub><\/small>&nbsp;exhibit intensities that are approximately 1.8 and 1.7 times that of KH<small><sub>2<\/sub><\/small>PO<small><sub>4<\/sub><\/small>, respectively. The results of density functional theory calculations show that both (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)BiBr<small><sub>6<\/sub><\/small>&nbsp;and (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)SbBr<small><sub>6<\/sub><\/small>&nbsp;exhibit direct bandgaps of 2.95 and 2.81 eV, respectively. Additionally, because of the distortion of the inorganic octahedra, (C<small><sub>9<\/sub><\/small>N<small><sub>3<\/sub><\/small>H<small><sub>15<\/sub><\/small>)(C<small><sub>9<\/sub><\/small>H<small><sub>13<\/sub><\/small>SO)SbBr<small><sub>6<\/sub><\/small>&nbsp;exhibited bright yellow emission at room temperature, which is attributed to&nbsp;<em>n<\/em>s<small><sup>2<\/sup><\/small>&nbsp;fluorescence emission. We believe that the symmetry of the HOIMH crystal structure can be broken by introducing spatially differentiated bifunctional organic cations, which consequently enables even-order nonlinear activities.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Dalton Trans., 2023,52, 9368-9376, https:\/\/doi.org\/10.1 [&hellip;]<\/p>\n","protected":false},"author":20,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[174],"tags":[],"class_list":["post-2711","post","type-post","status-publish","format-standard","hentry","category-lab_papers_2023"],"_links":{"self":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2711","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/users\/20"}],"replies":[{"embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/comments?post=2711"}],"version-history":[{"count":1,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2711\/revisions"}],"predecessor-version":[{"id":2712,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/posts\/2711\/revisions\/2712"}],"wp:attachment":[{"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/media?parent=2711"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/categories?post=2711"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/ustb.cc\/zh\/wp-json\/wp\/v2\/tags?post=2711"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}