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

Yangyang Dang; Cheng Zhong; Guodong Zhang; Dianxing Ju; Lei Wang; Shengqing Xia; Haibing Xia; Xutang Tao

doi:10.1021/acs.chemmater.6b02653

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

Yangyang Dang, Cheng Zhong, Guodong Zhang, Dianxing Ju, Lei Wang, Shengqing Xia, Haibing Xia, Xutang Tao

Physical Sciences and Engineering

Research output: Contribution to journal › Article › peer-review

103 Scopus citations

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.

Original language	English (US)
Pages (from-to)	6968-6974
Number of pages	7
Journal	Chemistry of Materials
Volume	28
Issue number	19
DOIs	https://doi.org/10.1021/acs.chemmater.6b02653
State	Published - Sep 23 2016

Bibliographical note

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.

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10.1021/acs.chemmater.6b02653

Cite this

@article{071414c691c14a3686a7a974ddb9b4cf,

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

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.",

author = "Yangyang Dang and Cheng Zhong and Guodong Zhang and Dianxing Ju and Lei Wang and Shengqing Xia and Haibing Xia and Xutang Tao",

note = "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.",

year = "2016",

month = sep,

day = "23",

doi = "10.1021/acs.chemmater.6b02653",

language = "English (US)",

volume = "28",

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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.

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UR - http://pubs.acs.org/doi/full/10.1021/acs.chemmater.6b02653

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U2 - 10.1021/acs.chemmater.6b02653

DO - 10.1021/acs.chemmater.6b02653

M3 - Article

SN - 0897-4756

VL - 28

SP - 6968

EP - 6974

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 19

ER -

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

Abstract

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CCDC 1482638: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

CCDC 1475929: Experimental Crystal Structure Determination : trimethylammonium tribromo-tin(iv)

CCDC 1475931: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

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

Abstract

Bibliographical note

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Datasets

CCDC 1482638: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

CCDC 1475929: Experimental Crystal Structure Determination : trimethylammonium tribromo-tin(iv)

CCDC 1475931: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

Cite this