Bond length effects during the dissociation of O2 on Ni(1 1 1)
Source abstract
Abstract
Abstract The interaction between O2 and Ni(1 1 1) has been investigated using spin-polarised density functional theory. A series of low activation energy (EA = 103–315 meV) reaction pathways corresponding to precursor and non-precursor mediated adsorption have been identified. It has been seen that a predominantly pathway-independent correlation exists between O Ni bond order and the O2 bond length. This correlation demonstrates that the O O interaction predominantly determines the bonding of this system.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Advanced Chemical Physics Studies · Catalytic Processes in Materials Science · Catalysis and Oxidation Reactions
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References (19)
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