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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
High-surface step density on dendritic pd leads to exceptional catalytic activity for formic acid oxidation
S Patra1, B Viswanath, K Barai
1Department of Inorganic and Physical Chemistry, Materials Research Center, and Institute Nanoscience Initiative, Indian Institute of Science, Bangalore 560012, India.
Abstract:
Dendritic Pd with corrugated surfaces, obtained by a novel AC technique, exhibits an exceptionally high catalytic activity for the oxidation of formic acid because of the presence of a high density of surface steps. The formation of twinned dendrites leads to a predominance of exposed 111 facets with a high density of surface steps as evident from high resolution electron microscopy investigations. These surface sites provide active sites for the adsorption of the formic acid molecules, thereby enhancing the reaction rate. Control experiments by varying the time of deposition reveal the formation of partially grown dendrites at shorter times indicating that the dendrites were formed by growth rather than particle attachment. Our deposition method opens up interesting possibilities to produce anisotropic nanostructures with corrugated surfaces by exploiting the perturbations involved in the growth process.
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