2D Homologous Series SrFMnBiSn+2(M = Pb, Ag0.5Bi0.5; N = 0, 1) and Commensurately Modulated Sr2F2Bi2/3S2

Haijie Chen; Rebecca McClain; Jiahong Shen; Jiangang He; Christos D. Malliakas; Ioannis Spanopoulos; Chi Zhang; Chendong Zhao; Yang Wang; Qiang Li; Duck Young Chung; Xianli Su; Fuqiang Huang; Wai Kwong Kwok; Christopher Wolverton; Mercouri G. Kanatzidis

doi:10.1021/acs.inorgchem.2c00663

2D Homologous Series SrFM_nBiS_n+2(M = Pb, Ag_0.5Bi_0.5; N = 0, 1) and Commensurately Modulated Sr₂F₂Bi_2/3S₂

Haijie Chen, Rebecca McClain, Jiahong Shen, Jiangang He, Christos D. Malliakas, Ioannis Spanopoulos, Chi Zhang, Chendong Zhao, Yang Wang, Qiang Li, Duck Young Chung, Xianli Su, Fuqiang Huang, Wai Kwong Kwok, Christopher Wolverton, Mercouri G. Kanatzidis^*

^*Corresponding author for this work

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

2 Scopus citations

Abstract

We report three new mixed-anion two-dimensional (2D) compounds: SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2. Their structures as well as the parent compound SrFBiS2 were refined using single-crystal X-ray diffraction data, with the sequence of SrFBiS2, SrFPbBiS3, and SrFAg0.5Bi1.5S3 defining the new homologous series SrFMnBiSn+2 (M = Pb, Ag0.5Bi0.5; n = 0, 1). Sr2F2Bi2/3S2 has a different structure, which is modulated with a q vector of 1/3b∗ and was refined in superspace group X2/m(0β0)00 as well as in the 1 × 3 × 1 superstructure with space group C2/m (with similar results). Sr2F2Bi2/3S2 features hexagonal layers of alternating [Sr2F2]2+ and [Bi2/3S2]2-, and the modulated structure arises from the unique ordering pattern of Sr2+ cations. SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2 are semiconductors with band gaps of 1.31, 1.21, and 1.85 eV, respectively. The latter compound exhibits room temperature red photoluminescence at ∼700 nm.

Original language	English (US)
Pages (from-to)	8233-8240
Number of pages	8
Journal	Inorganic chemistry
Volume	61
Issue number	21
DOIs	https://doi.org/10.1021/acs.inorgchem.2c00663
State	Published - May 30 2022

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry

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10.1021/acs.inorgchem.2c00663

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Chen, H., McClain, R., Shen, J., He, J., Malliakas, C. D., Spanopoulos, I., Zhang, C., Zhao, C., Wang, Y., Li, Q., Chung, D. Y., Su, X., Huang, F., Kwok, W. K., Wolverton, C., & Kanatzidis, M. G. (2022). 2D Homologous Series SrFM_nBiS_n+2(M = Pb, Ag_0.5Bi_0.5; N = 0, 1) and Commensurately Modulated Sr₂F₂Bi_2/3S₂. Inorganic chemistry, 61(21), 8233-8240. https://doi.org/10.1021/acs.inorgchem.2c00663

@article{99a2df217c0143518d32f6f75c807556,

title = "2D Homologous Series SrFMnBiSn+2(M = Pb, Ag0.5Bi0.5; N = 0, 1) and Commensurately Modulated Sr2F2Bi2/3S2",

abstract = "We report three new mixed-anion two-dimensional (2D) compounds: SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2. Their structures as well as the parent compound SrFBiS2 were refined using single-crystal X-ray diffraction data, with the sequence of SrFBiS2, SrFPbBiS3, and SrFAg0.5Bi1.5S3 defining the new homologous series SrFMnBiSn+2 (M = Pb, Ag0.5Bi0.5; n = 0, 1). Sr2F2Bi2/3S2 has a different structure, which is modulated with a q vector of 1/3b∗ and was refined in superspace group X2/m(0β0)00 as well as in the 1 × 3 × 1 superstructure with space group C2/m (with similar results). Sr2F2Bi2/3S2 features hexagonal layers of alternating [Sr2F2]2+ and [Bi2/3S2]2-, and the modulated structure arises from the unique ordering pattern of Sr2+ cations. SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2 are semiconductors with band gaps of 1.31, 1.21, and 1.85 eV, respectively. The latter compound exhibits room temperature red photoluminescence at ∼700 nm.",

author = "Haijie Chen and Rebecca McClain and Jiahong Shen and Jiangang He and Malliakas, {Christos D.} and Ioannis Spanopoulos and Chi Zhang and Chendong Zhao and Yang Wang and Qiang Li and Chung, {Duck Young} and Xianli Su and Fuqiang Huang and Kwok, {Wai Kwong} and Christopher Wolverton and Kanatzidis, {Mercouri G.}",

note = "Funding Information: Research was primarily supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (synthesis and structure characterization). R.M. was supported in part by the National Science Foundation (Grant DMR-2003476). SEM–EDS was performed by using of the EPIC, Keck-II, and/or SPID facility(ies) of Northwestern University{\textquoteright}s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF Grant ECCS-2025633), the MRSEC program (NSF Grant DMR-1121262) at the Materials Research Center, the International Institute for Nanotechnology (IIN), the Keck Foundation, and the State of Illinois, through the IIN. This work made use of the IMSERC Crystallography facility at Northwestern University, which has received support from the SHyNE Resource (NSF ECCS-2025633), and Northwestern University. The computational resources were provided by the Quest high-performance computing facility at Northwestern University. This work was also supported by the National Natural Science Foundations of China (Grant 22101045). Publisher Copyright: {\textcopyright} 2022 The Authors. Published by American Chemical Society.",

year = "2022",

month = may,

day = "30",

doi = "10.1021/acs.inorgchem.2c00663",

language = "English (US)",

volume = "61",

pages = "8233--8240",

journal = "Inorganic chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "21",

}

Chen, H, McClain, R, Shen, J, He, J, Malliakas, CD, Spanopoulos, I, Zhang, C, Zhao, C, Wang, Y, Li, Q, Chung, DY, Su, X, Huang, F, Kwok, WK, Wolverton, C & Kanatzidis, MG 2022, '2D Homologous Series SrFM_nBiS_n+2(M = Pb, Ag_0.5Bi_0.5; N = 0, 1) and Commensurately Modulated Sr₂F₂Bi_2/3S₂', Inorganic chemistry, vol. 61, no. 21, pp. 8233-8240. https://doi.org/10.1021/acs.inorgchem.2c00663

TY - JOUR

T1 - 2D Homologous Series SrFMnBiSn+2(M = Pb, Ag0.5Bi0.5; N = 0, 1) and Commensurately Modulated Sr2F2Bi2/3S2

AU - Chen, Haijie

AU - McClain, Rebecca

AU - Shen, Jiahong

AU - He, Jiangang

AU - Malliakas, Christos D.

AU - Spanopoulos, Ioannis

AU - Zhang, Chi

AU - Zhao, Chendong

AU - Wang, Yang

AU - Li, Qiang

AU - Chung, Duck Young

AU - Su, Xianli

AU - Huang, Fuqiang

AU - Kwok, Wai Kwong

AU - Wolverton, Christopher

AU - Kanatzidis, Mercouri G.

N1 - Funding Information: Research was primarily supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (synthesis and structure characterization). R.M. was supported in part by the National Science Foundation (Grant DMR-2003476). SEM–EDS was performed by using of the EPIC, Keck-II, and/or SPID facility(ies) of Northwestern University’s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF Grant ECCS-2025633), the MRSEC program (NSF Grant DMR-1121262) at the Materials Research Center, the International Institute for Nanotechnology (IIN), the Keck Foundation, and the State of Illinois, through the IIN. This work made use of the IMSERC Crystallography facility at Northwestern University, which has received support from the SHyNE Resource (NSF ECCS-2025633), and Northwestern University. The computational resources were provided by the Quest high-performance computing facility at Northwestern University. This work was also supported by the National Natural Science Foundations of China (Grant 22101045). Publisher Copyright: © 2022 The Authors. Published by American Chemical Society.

PY - 2022/5/30

Y1 - 2022/5/30

N2 - We report three new mixed-anion two-dimensional (2D) compounds: SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2. Their structures as well as the parent compound SrFBiS2 were refined using single-crystal X-ray diffraction data, with the sequence of SrFBiS2, SrFPbBiS3, and SrFAg0.5Bi1.5S3 defining the new homologous series SrFMnBiSn+2 (M = Pb, Ag0.5Bi0.5; n = 0, 1). Sr2F2Bi2/3S2 has a different structure, which is modulated with a q vector of 1/3b∗ and was refined in superspace group X2/m(0β0)00 as well as in the 1 × 3 × 1 superstructure with space group C2/m (with similar results). Sr2F2Bi2/3S2 features hexagonal layers of alternating [Sr2F2]2+ and [Bi2/3S2]2-, and the modulated structure arises from the unique ordering pattern of Sr2+ cations. SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2 are semiconductors with band gaps of 1.31, 1.21, and 1.85 eV, respectively. The latter compound exhibits room temperature red photoluminescence at ∼700 nm.

AB - We report three new mixed-anion two-dimensional (2D) compounds: SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2. Their structures as well as the parent compound SrFBiS2 were refined using single-crystal X-ray diffraction data, with the sequence of SrFBiS2, SrFPbBiS3, and SrFAg0.5Bi1.5S3 defining the new homologous series SrFMnBiSn+2 (M = Pb, Ag0.5Bi0.5; n = 0, 1). Sr2F2Bi2/3S2 has a different structure, which is modulated with a q vector of 1/3b∗ and was refined in superspace group X2/m(0β0)00 as well as in the 1 × 3 × 1 superstructure with space group C2/m (with similar results). Sr2F2Bi2/3S2 features hexagonal layers of alternating [Sr2F2]2+ and [Bi2/3S2]2-, and the modulated structure arises from the unique ordering pattern of Sr2+ cations. SrFPbBiS3, SrFAg0.5Bi1.5S3, and Sr2F2Bi2/3S2 are semiconductors with band gaps of 1.31, 1.21, and 1.85 eV, respectively. The latter compound exhibits room temperature red photoluminescence at ∼700 nm.

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UR - http://www.scopus.com/inward/citedby.url?scp=85131269033&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.2c00663

DO - 10.1021/acs.inorgchem.2c00663

M3 - Article

C2 - 35580355

AN - SCOPUS:85131269033

SN - 0020-1669

VL - 61

SP - 8233

EP - 8240

JO - Inorganic chemistry

JF - Inorganic chemistry

IS - 21

ER -

2D Homologous Series SrFM_nBiS_n+2(M = Pb, Ag_0.5Bi_0.5; N = 0, 1) and Commensurately Modulated Sr₂F₂Bi_2/3S₂

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CSD 2168019: Experimental Crystal Structure Determination

CSD 2155019: Experimental Crystal Structure Determination

CSD 2155017: Experimental Crystal Structure Determination

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2D Homologous Series SrFMnBiSn+2(M = Pb, Ag0.5Bi0.5; N = 0, 1) and Commensurately Modulated Sr2F2Bi2/3S2

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CSD 2168019: Experimental Crystal Structure Determination

CSD 2155019: Experimental Crystal Structure Determination

CSD 2155017: Experimental Crystal Structure Determination

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2D Homologous Series SrFM_nBiS_n+2(M = Pb, Ag_0.5Bi_0.5; N = 0, 1) and Commensurately Modulated Sr₂F₂Bi_2/3S₂