First-principles investigation of adsorption and dissociation of molecular oxygen on pure Pd, Ni-doped Pd and NiPd alloy clusters

标题
First-principles investigation of adsorption and dissociation of molecular oxygen on pure Pd, Ni-doped Pd and NiPd alloy clusters
作者
关键词
Auxiliary density functional theory, Adsorption energy, Activation energy, Transition metal clusters
出版物
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 42, Issue 51, Pages 30310-30317
出版商
Elsevier BV
发表日期
2017-09-02
DOI
10.1016/j.ijhydene.2017.08.041

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