Aslihan Sumer

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We systematically investigated the role of surface modification of nanoparticles catalyst in alkyne hydrogenation reactions and proposed the general explanation of effect of surface ligands on the selectivity and activity of Pt and Co/Pt nanoparticles (NPs) using experimental and computational approaches. We show that the proper balance between adsorption(More)
Electrocatalytic reduction of oxygen is composed of multiple steps, including the diffusion-adsorption-dissociation of molecular oxygen. This study explores the role of electrical double layer in aqueous medium in quantifying the rate of these coupled electrochemical processes at the electrode interface during oxygen reduction. The electronic, energetic,(More)
Molecular surfaces at atomic and subatomic scales are inherently ill-defined. In many computational chemistry problems, interfaces are better represented as volumetric regions than as discrete surfaces. The geometry of this interface is largely defined by electron density and electrostatic potential fields. While experimental measurements such as chemical(More)
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