Search
Now showing items 1-3 of 3
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
Differentiating chemical and thermal expansion is virtually impossible to achieve experimentally. While thermal expansion stems from a softening of the phonon spectra, chemical expansion depends on the chemical composition ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
In this contribution, we determine the compositional dependence of the chemical expansion and entropy of hydration of the proton conducting perovskites BaZrO3, BaSnO3, BaCeO3, and SrZrO3 by first principles phonon calculations. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
In the present contribution, we assess the efficiency of the alkali metals (Na, K, Rb and Cs) as A-site acceptor dopants in proton conducting BaZrO3 by first principles calculations. The calculated acceptor–proton complexes ...