First principles DFT study of interstitial hydrogen and oxygen atoms in the MAX phase Ti2AlN
Author:
Affiliation:
1. University of Freiburg
2. Freiburg Materials Research Center (FMF)
3. 79108 Freiburg
4. Germany
5. Fraunhofer Institute for Mechanics of Materials IWM
Abstract
We model hydrogen and oxygen absorption and diffusion in Ti2AlN via ab initio simulations to assess its corrosion protection potential.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA05045C
Reference27 articles.
1. The MN+1AXN phases: A new class of solids
2. The M+1AX phases: Materials science and thin-film processing
3. Accommodation of Excess Oxygen in Group II Monoxides
4. First principles investigation of point defect-related properties in Ti2AlN
5. Origin of Al Deficient Ti2AlN and Pathways of Vacancy-Assisted Diffusion
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