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Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study

article by Amra Peles & Chris G Van de Walle published 4 December 2007 in Physical Review B

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Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study (English)

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author

Chris G. Van de Walle

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Chris G. Van de Walle

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2

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Amra Peles

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1

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English

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publication date

4 December 2007

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published in

Physical Review B

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76

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issue

21

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Hydrogen-storage materials for mobile applications.

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21 January 2018

Alternative energy technologies

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21 January 2018

Inhomogeneous Electron Gas

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21 January 2018

Self-Consistent Equations Including Exchange and Correlation Effects

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21 January 2018

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

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From ultrasoft pseudopotentials to the projector augmented-wave method

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21 January 2018

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

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First-principles calculations for defects and impurities: Applications to III-nitrides

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21 January 2018

Effects of milling, doping and cycling of NaAlH4 studied by vibrational spectroscopy and X-ray diffraction

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21 January 2018

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10.1103/PHYSREVB.76.214101

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(Q56424235)

Role of charged defects and impurities in kinetics of hydrogen storage materials: A first-principles study

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