TY - JOUR
T1 - Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br)
AU - Dang, Yangyang
AU - Zhong, Cheng
AU - Zhang, Guodong
AU - Ju, Dianxing
AU - Wang, Lei
AU - Xia, Shengqing
AU - Xia, Haibing
AU - Tao, Xutang
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: 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.
PY - 2016/9/23
Y1 - 2016/9/23
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/621256
UR - http://pubs.acs.org/doi/full/10.1021/acs.chemmater.6b02653
UR - http://www.scopus.com/inward/record.url?scp=84991328217&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.6b02653
DO - 10.1021/acs.chemmater.6b02653
M3 - Article
VL - 28
SP - 6968
EP - 6974
JO - Chemistry of Materials
JF - Chemistry of Materials
SN - 0897-4756
IS - 19
ER -