Chemical Bonding of AlH₃ Hydride by Al-L2,3 Electron Energy-Loss Spectra and First-Principles Calculations

Kazuyoshi Tatsumi; Shunsuke Muto; Kazutaka Ikeda; Shin-Ichi Orimo

doi:10.3390/ma5040566

Chemical Bonding of AlH₃ Hydride by Al-L_2,3 Electron Energy-Loss Spectra and First-Principles Calculations

Materials (Basel). 2012 Mar 30;5(4):566-574. doi: 10.3390/ma5040566.

Authors

Kazuyoshi Tatsumi¹, Shunsuke Muto², Kazutaka Ikeda³, Shin-Ichi Orimo⁴

Affiliations

¹ Department of Materials, Physics and Energy Engineering, Nagoya University, Chikusa, Nagoya 464-8603, Japan. k-tatsumi@nucl.nagoya-u.ac.jp.
² Department of Materials, Physics and Energy Engineering, Nagoya University, Chikusa, Nagoya 464-8603, Japan. s-mutoh@nucl.nagoya-u.ac.jp.
³ Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan. kikeda@post.j-parc.jp.
⁴ Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan. orimo@imr.tohoku.ac.jp.

Abstract

In a previous study, we used transmission electron microscopy and electron energy-loss (EEL) spectroscopy to investigate dehydrogenation of AlH₃ particles. In the present study, we systematically examine differences in the chemical bonding states of Al-containing compounds (including AlH₃) by comparing their Al-L_2,3 EEL spectra. The spectral chemical shift and the fine peak structure of the spectra were consistent with the degree of covalent bonding of Al. This finding will be useful for future nanoscale analysis of AlH₃ dehydrogenation toward the cell.

Keywords: AlH3; EELS; chemical bonding; first principles calculation.