Structure of nanoconfined LiBH4 from first principles 11B NMR chemical shifts calculations
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- 作者：Zbigniew 艁odziana ; Zbigniew.Lodziana@ifj.edu.pl" class="auth_mail ; Piotr B艂o艅ski
- 关键词：Lithium borohydride ; DFT calculations ; NMR GIPAW calculations ; Nanoconfinement
- 刊名：International Journal of Hydrogen Energy
- 出版年：15 June 2014
- 年：2014
- 卷：39
- 期：18
- 页码：9842-9847
- 全文大小：866 K
文摘
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Model of nanoconfined lithium borohydride is proposed.
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Nanoconfined LiBH4 consist of linear chains, linear ribbons and 3-dimensional chains.
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Model of nanoconfined LiBH4 reproduce observed 11B NMR spectra.