LiBH4 的原位 X 射线拉曼光谱研究。

In situ X-ray Raman spectroscopy of LiBH4.

机构信息

Department of Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 23584 CG Utrecht, The Netherlands.

出版信息

Phys Chem Chem Phys. 2012 Apr 28;14(16):5581-7. doi: 10.1039/c2cp24025d. Epub 2012 Mar 16.

DOI:10.1039/c2cp24025d

PMID:22428166

Abstract

X-Ray Raman Spectroscopy (XRS) is used to study the electronic properties of bulk lithium borohydride (LiBH(4)) and LiBH(4) in porous carbon nano-composites (LiBH(4)/C) during dehydrogenation. The lithium (Li), boron (B) and carbon (C) K-edges are studied and compared with calculations of the starting material and intermediate compounds. Comparison of the B and C K-edge XRS spectra of the as-prepared samples with rehydrogenated samples shows that the B and C electronic structure is largely regained after rehydrogenation. Both Li and C K-edge spectra show that during dehydrogenation, part of the Li intercalates into the porous carbon. This study shows that XRS in combination with calculations is a promising tool to study the electronic properties of nano-crystalline light-weight materials for energy storage.

摘要

X 射线拉曼光谱（XRS）用于研究块状氢化锂硼（LiBH₄）和多孔碳纳米复合材料（LiBH₄/C）中 LiBH₄在脱氢过程中的电子性质。研究了锂（Li）、硼（B）和碳（C）K 边，并与起始材料和中间化合物的计算结果进行了比较。比较了制备样品和再氢化样品的 B 和 C K 边 XRS 光谱表明，再氢化后 B 和 C 的电子结构基本恢复。Li 和 C K 边光谱都表明，在脱氢过程中，部分 Li 嵌入到多孔碳中。这项研究表明，XRS 结合计算是研究用于储能的纳米晶轻量材料电子性质的一种很有前途的工具。