Semiconducting silicon–phosphorus frameworks for caging exotic polycations

Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill

doi:10.1039/d2cc02304k

Title: Semiconducting silicon–phosphorus frameworks for caging exotic polycations

Journal Article · 02 June 2022 · ChemComm

DOI: https://doi.org/10.1039/d2cc02304k · OSTI ID:1872223

Yox, Philip ^[1]; Porter, Andrew P. ^[2]; Dorn, Rick W. ^[1]; Kyveryga, Victoria ^[2];

^[1];

^[1]

Ames Lab., and Iowa State Univ., Ames, IA (United States)
Iowa State Univ., Ames, IA (United States)

A series of novel semiconductors AAe₆Si₁₂P₂₀X (A = Na, K, Rb, Cs; Ae = Sr, Ba; X = Cl, Br, I) is reported. Their crystal structures feature a tetrahedral Si–P framework with large zeolite-like pores hosting two types of cations, monoatomic A⁺ and unprecedented octahedral X@Ae₆¹¹⁺. Mixing of the A and Ba cations was detected by single crystal X-ray diffraction and confirmed by multinuclear solid state NMR. The reported compounds are highly stable semiconductors with a bandgap range from 1.4 to 2.0 eV.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-07CH11358; SC0022288

OSTI ID:: 1872223

Alternate ID(s):: OSTI ID: 2341308; OSTI ID: 1872792

Report Number(s):: IS-J--10,817

Journal Information:: ChemComm, Journal Name: ChemComm Journal Issue: 55 Vol. 58; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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CSD 2168162: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4q0 The current record is supplemented by this dataset	dataset	January 2022
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CSD 2168170: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4z8 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168166: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4v4 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168165: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4t3 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168171: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs50b The current record is supplemented by this dataset	dataset	January 2022
CSD 2168169: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4y7 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168167: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4w5 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168164: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4s2 The current record is supplemented by this dataset	dataset	January 2022
CSD 2168168: Experimental Crystal Structure Determination Philip, Yox,; P., Porter, Andrew; W., Dorn, Rick https://doi.org/10.25505/fiz.icsd.cc2bs4x6 The current record is supplemented by this dataset	dataset	January 2022

Title: Semiconducting silicon–phosphorus frameworks for caging exotic polycations

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