On the Formation and the Structure of the First Bimetallic Borohydride Borate, LiCa3(BH4)(BO3)(2)
- Authors
- Lee, Young-Su; Filinchuk, Yaroslav; Lee, Hyun-Sook; Suh, Jin-Yoo; Kim, Ji Woo; Yu, Jong-Sung; Cho, Young Whan
- Issue Date
- 26-5월-2011
- Publisher
- AMER CHEMICAL SOC
- Keywords
- Bimetallic Borohydride; Borare; LiBH4; Ca(BH4)2
- Citation
- JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.20, pp.10298 - 10304
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF PHYSICAL CHEMISTRY C
- Volume
- 115
- Number
- 20
- Start Page
- 10298
- End Page
- 10304
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/112429
- DOI
- 10.1021/jp2012232
- ISSN
- 1932-7447
- Abstract
- We present the first report on the formation and the crystal structure of a bimetallic borohydride borate, LiCa3(BH4)(BO3)(2). It is discovered during decomposition of LiBH4-Ca(BH4)(2)-carbon composite studied for hydrogen storage. A small amount of oxygen impurity in the starting material or introduced during sample preparation gives rise to the formation of [BO3](3-). Its crystal structure was solved from synchrotron powder diffraction data as space group Fd (3) over barm and a = 143911(2) angstrom at 387 degrees C. The experimental structural parameters are closely reproduced and the orientational disorder in [BH4](-) is confirmed by first-principles calculations.
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Collections - Graduate School > Department of Material Chemistry > 1. Journal Articles
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