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Showing 2011 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2011★ 8 cited

Behavior of hydrogen ions, atoms, and molecules in alpha-boron studied using density functional calculations

Philipp Wagner, Christopher P. Ewels, Irene Suarez-Martinez +4

We examine the behaviour of hydrogen ions, atoms and molecules in alpha-boron using density functional calculations. Hydrogen behaves as a negative-U centre, with positive H ions p…