Hydrogen binding energies and electronic structure of Ni-Pd particles: a clue to their special catalytic properties

Phys. Chem. Chem. Phys., 2015, Accepted Manuscript
DOI: 10.1039/C5CP04174K, Paper

Linn Leppert, Rhett Kempe, Stephan Kummel
We investigate the electronic structure of nickel-palladium systems with first-principles density functional theory (DFT). Our study is motivated by the experimental observation that nickel-palladium nanoalloys containing approximately equal amounts of...
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