LiSi 3 As 6 and Li 2 SiAs 2 with flexible SiAs 2 polyanions: synthesis, structure, bonding, and ionic conductivity
Abstract
Two novel ternary phases, LiSi3As6 and Li2SiAs2, have been synthesized and characterized. Both phases have an identical Si : As ratio of 1 : 2 providing insight on how layers of the parent phase SiAs2 accommodate excess electrons from Li cations to form Si–As anionic frameworks. LiSi3As6 exhibits a variety of bonding schemes involving Si–Si and As–As bonds, as well as corner-sharing SiAs4 tetrahedra, while Li2SiAs2 is isostructural to the previously reported Li2SiP2, with adamantane-like Si4As10 units connected into 3D framework. LiSi3As6 and Li2SiAs2 are predicted to be indirect semiconductors which was experimentally confirmed by optical properties characterization. Li2SiAs2 exhibits low thermal conductivity of 1.20 W m–1 K–1 at 300 K in combination with a room temperature ionic conductivity of 7 × 10–6 S cm–1, an order of magnitude greater than that of the phosphide and nitride analogues, indicating its potential as a solid-state Li-ion conductor.
- Authors:
-
- Department of Chemistry, Iowa State University, Ames, USA, Ames Laboratory
- Department of Chemistry, University of California, Davis, Davis, USA
- Department of Materials Science and Engineering, University of California, Davis, Davis, USA
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1594197
- Alternate Identifier(s):
- OSTI ID: 1601276
- Report Number(s):
- IS-J-10161
Journal ID: ISSN 2050-7488; JMCAET
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Published Article
- Journal Name:
- Journal of Materials Chemistry. A
- Additional Journal Information:
- Journal Name: Journal of Materials Chemistry. A Journal Volume: 8 Journal Issue: 6; Journal ID: ISSN 2050-7488
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Mark, Justin, Lee, Kathleen, Marple, Maxwell A. T., Lee, Shannon, Sen, Sabyasachi, and Kovnir, Kirill. LiSi 3 As 6 and Li 2 SiAs 2 with flexible SiAs 2 polyanions: synthesis, structure, bonding, and ionic conductivity. United Kingdom: N. p., 2020.
Web. doi:10.1039/C9TA11150F.
Mark, Justin, Lee, Kathleen, Marple, Maxwell A. T., Lee, Shannon, Sen, Sabyasachi, & Kovnir, Kirill. LiSi 3 As 6 and Li 2 SiAs 2 with flexible SiAs 2 polyanions: synthesis, structure, bonding, and ionic conductivity. United Kingdom. doi:10.1039/C9TA11150F.
Mark, Justin, Lee, Kathleen, Marple, Maxwell A. T., Lee, Shannon, Sen, Sabyasachi, and Kovnir, Kirill. Thu .
"LiSi 3 As 6 and Li 2 SiAs 2 with flexible SiAs 2 polyanions: synthesis, structure, bonding, and ionic conductivity". United Kingdom. doi:10.1039/C9TA11150F.
@article{osti_1594197,
title = {LiSi 3 As 6 and Li 2 SiAs 2 with flexible SiAs 2 polyanions: synthesis, structure, bonding, and ionic conductivity},
author = {Mark, Justin and Lee, Kathleen and Marple, Maxwell A. T. and Lee, Shannon and Sen, Sabyasachi and Kovnir, Kirill},
abstractNote = {Two novel ternary phases, LiSi3As6 and Li2SiAs2, have been synthesized and characterized. Both phases have an identical Si : As ratio of 1 : 2 providing insight on how layers of the parent phase SiAs2 accommodate excess electrons from Li cations to form Si–As anionic frameworks. LiSi3As6 exhibits a variety of bonding schemes involving Si–Si and As–As bonds, as well as corner-sharing SiAs4 tetrahedra, while Li2SiAs2 is isostructural to the previously reported Li2SiP2, with adamantane-like Si4As10 units connected into 3D framework. LiSi3As6 and Li2SiAs2 are predicted to be indirect semiconductors which was experimentally confirmed by optical properties characterization. Li2SiAs2 exhibits low thermal conductivity of 1.20 W m–1 K–1 at 300 K in combination with a room temperature ionic conductivity of 7 × 10–6 S cm–1, an order of magnitude greater than that of the phosphide and nitride analogues, indicating its potential as a solid-state Li-ion conductor.},
doi = {10.1039/C9TA11150F},
journal = {Journal of Materials Chemistry. A},
number = 6,
volume = 8,
place = {United Kingdom},
year = {2020},
month = {1}
}
DOI: 10.1039/C9TA11150F
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