Hydrogen diffusion in amorphous ZrO2
SA Sheikholeslam and WJ Luo and C Grecu and GR Xia and A Ivanov, JOURNAL OF NON-CRYSTALLINE SOLIDS, 440, 7-11 (2016).
The diffusivities and activation energies of atomic and molecular hydrogen in amorphous ZrO2 (a-ZrO2) of different densities were calculated using molecular dynamics methods. Atomic hydrogen was found to be diffusing via forming and dissociating bonds with oxygen atoms in a-ZrO2. The energy barriers for three H transport means were calculated and the most significant component of short term H transport was identified. (C) 2016 Elsevier B.V. All rights reserved.
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