Energetics and diffusion of hydrogen in hydrogen permeation barrier of α-Al2O3/FeAl with two different interfaces

• Published in: International journal of hydrogen energy Vol. 38; no. 18; pp. 7550 - 7560
• Main Authors: Zhang, Guikai, Wang, Xiaolin, Yang, Feilong, Shi, Yan, Song, Jiangfeng, Lai, Xinchun
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 18.06.2013; Elsevier
• Subjects: Alternative fuels. Production and utilization; Aluminides; Aluminum; Applied sciences; DFT; Diffusion barriers; Energy; Exact sciences and technology; FeAl; Ferrous alloys; Fuels; Hydrogen; Hydrogen diffusion; Hydrogen permeation barrier; Interface; Intermetallic compounds; Intermetallics; Iron aluminides; Iron compounds; Slabs; α-Al2O3; Hydrogen diffusion; DFT; FeAl; Interface; α-Al2O3; Hydrogen permeation barrier; Hydrogen; α-Al; O

To provide insights into the interface structure of hydrogen permeation barrier of α-Al2O3/FeAl and its effect on stability and diffusion of hydrogen isotopes, the thermodynamics and kinetics of H diffusion in α-Al2O3 (001)/FeAl (111) slab with Al/O and Al/Fe/O interfaces have been studied by the de...