Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br)

Handle URI:
http://hdl.handle.net/10754/621256
Title:
Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br)
Authors:
Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang
Abstract:
The hybrid perovskites with special optoelectronic properties have attracted more attention to the scientific and industrial applications. However, because of the toxicity and instability of lead complexes, there is interest in finding a nontoxic substitute for the lead in the halides perovskites and solving the ambiguous crystal structures and phase transition of NH(CH3)3SnX3 (X = Cl, Br). Here, we report the bulk crystal growths and different crystal morphologies of orthorhombic hybrid perovskites NH(CH3)3SnX3 (X = Cl, Br) in an ambient atmosphere by bottom-seeded solution growth (BSSG) method. More importantly, detailed structural determination and refinements, phase transition, band gap, band structure calculations, nonlinear optical (NLO) properties, XPS, thermal properties, and stability of NH(CH3)3SnX3 (X = Cl, Br) single crystals are demonstrated. NH(CH3)3SnCl3 single crystal undergoes reversible structural transformation from orthorhombic space group Cmc21 (no. 36) to monoclinic space group Cc (no. 9) and NH(CH3)3SnBr3 belongs to the orthorhombic space group Pna21 (no. 33) by DSC, single-crystal X-ray diffraction and temperature-dependent SHG measurements, which clarify the former results. These results should pave the way for further studies of these materials in optoelectronics.
KAUST Department:
Solar and Photovoltaic Engineering Research Center (SPERC)
Citation:
Dang Y, Zhong C, Zhang G, Ju D, Wang L, et al. (2016) Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br). Chemistry of Materials 28: 6968–6974. Available: http://dx.doi.org/10.1021/acs.chemmater.6b02653.
Publisher:
American Chemical Society (ACS)
Journal:
Chemistry of Materials
Issue Date:
11-Oct-2016
DOI:
10.1021/acs.chemmater.6b02653
Type:
Article
ISSN:
0897-4756; 1520-5002
Sponsors:
This work was supported by the National Natural Science Foundation of China (grant nos. 51321091, 51227002, 51272129) and the Program of Introducing Talents of Disciplines to Universities in China (111 program no. b06015). The authors greatly thank Prof. Yi Zhang and Prof. Ren-Gen Xiong, Southeast University, P. R. China for their kind help in temperature-dependent-second harmonic generation (SHG) measurements, The authors also thank Shaojun Zhang, Xiufeng Cheng, Nannan Li, and Xin Ye for their help in powder second harmonic generation (SHG), thermal properties, XPS and DSC measurements, respectively.
Is Supplemented By:
Dang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475931: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtpm; DOI:10.5517/ccdc.csd.cc1ljtpm; HANDLE:http://hdl.handle.net/10754/624578; Dang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1482638: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lrt16; DOI:10.5517/ccdc.csd.cc1lrt16; HANDLE:http://hdl.handle.net/10754/624590; Dang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475929: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtmk; DOI:10.5517/ccdc.csd.cc1ljtmk; HANDLE:http://hdl.handle.net/10754/624576; Dang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475930: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtnl; DOI:10.5517/ccdc.csd.cc1ljtnl; HANDLE:http://hdl.handle.net/10754/624577
Additional Links:
http://pubs.acs.org/doi/full/10.1021/acs.chemmater.6b02653
Appears in Collections:
Articles; Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorDang, Yangyangen
dc.contributor.authorZhong, Chengen
dc.contributor.authorZhang, Guodongen
dc.contributor.authorJu, Dianxingen
dc.contributor.authorWang, Leien
dc.contributor.authorXia, Shengqingen
dc.contributor.authorXia, Haibingen
dc.contributor.authorTao, Xutangen
dc.date.accessioned2016-10-31T07:37:23Z-
dc.date.available2016-10-31T07:37:23Z-
dc.date.issued2016-10-11en
dc.identifier.citationDang Y, Zhong C, Zhang G, Ju D, Wang L, et al. (2016) Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br). Chemistry of Materials 28: 6968–6974. Available: http://dx.doi.org/10.1021/acs.chemmater.6b02653.en
dc.identifier.issn0897-4756en
dc.identifier.issn1520-5002en
dc.identifier.doi10.1021/acs.chemmater.6b02653en
dc.identifier.urihttp://hdl.handle.net/10754/621256-
dc.description.abstractThe hybrid perovskites with special optoelectronic properties have attracted more attention to the scientific and industrial applications. However, because of the toxicity and instability of lead complexes, there is interest in finding a nontoxic substitute for the lead in the halides perovskites and solving the ambiguous crystal structures and phase transition of NH(CH3)3SnX3 (X = Cl, Br). Here, we report the bulk crystal growths and different crystal morphologies of orthorhombic hybrid perovskites NH(CH3)3SnX3 (X = Cl, Br) in an ambient atmosphere by bottom-seeded solution growth (BSSG) method. More importantly, detailed structural determination and refinements, phase transition, band gap, band structure calculations, nonlinear optical (NLO) properties, XPS, thermal properties, and stability of NH(CH3)3SnX3 (X = Cl, Br) single crystals are demonstrated. NH(CH3)3SnCl3 single crystal undergoes reversible structural transformation from orthorhombic space group Cmc21 (no. 36) to monoclinic space group Cc (no. 9) and NH(CH3)3SnBr3 belongs to the orthorhombic space group Pna21 (no. 33) by DSC, single-crystal X-ray diffraction and temperature-dependent SHG measurements, which clarify the former results. These results should pave the way for further studies of these materials in optoelectronics.en
dc.description.sponsorshipThis work was supported by the National Natural Science Foundation of China (grant nos. 51321091, 51227002, 51272129) and the Program of Introducing Talents of Disciplines to Universities in China (111 program no. b06015). The authors greatly thank Prof. Yi Zhang and Prof. Ren-Gen Xiong, Southeast University, P. R. China for their kind help in temperature-dependent-second harmonic generation (SHG) measurements, The authors also thank Shaojun Zhang, Xiufeng Cheng, Nannan Li, and Xin Ye for their help in powder second harmonic generation (SHG), thermal properties, XPS and DSC measurements, respectively.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/full/10.1021/acs.chemmater.6b02653en
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in the journal Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/acs.chemmater.6b02653en
dc.titleCrystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br)en
dc.typeArticleen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Center (SPERC)en
dc.identifier.journalChemistry of Materialsen
dc.eprint.versionPost-printen
dc.contributor.institutionState Key Laboratory of Crystal Materials & Institute of Crystal Materials, Shandong University, No. 27 Shanda South Road, Jinan 250100, P. R. Chinaen
kaust.authorZhong, Chengen
dc.relation.isSupplementedByDang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475931: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtpmen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1ljtpmen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624578en
dc.relation.isSupplementedByDang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1482638: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1lrt16en
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1lrt16en
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624590en
dc.relation.isSupplementedByDang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475929: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtmken
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1ljtmken
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624576en
dc.relation.isSupplementedByDang, Y., Zhong, C., Zhang, G., Ju, D., Wang, L., Xia, S., … Tao, X. (2016). CCDC 1475930: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1ljtnlen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1ljtnlen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624577en
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