First principles DFT study of interstitial hydrogen and oxygen atoms in the MAX phase Ti2AlN

5 years ago

First principles DFT study of interstitial hydrogen and oxygen atoms in the MAX phase Ti2AlN

Christian Elsasser, Francesco Colonna

We model hydrogen and oxygen absorption and diffusion in Ti₂AlN via ab initio simulations to assess its corrosion protection potential.

Publisher URL: http://feeds.rsc.org/~r/rss/ra/~3/pKcT5oOOENk/C7RA05045C

DOI: 2017/RA/C7RA05045C

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