In this work, we present a density functional theory (DFT) study of hydrogen interaction with Pt on a B2 FeTi (110) metallic surface. DFT is used to trace relevant orbital interactions and to discuss the electronic ...

Thiolate-protected platinum nanoparticles have become promising for applications in heterogeneous catalysis and the fabrication of new materials for hydrogen storage. Once nanoparticles have been synthesized and conveniently ...

In this work, PtSn binary electrodeposits were prepared in three compositions and submitted to successive voltammetric cycles in presence of glycerol (1.0 mol L−1) in acidic media. Catalysts were characterized by energy ...

The hydrogenation reaction of acetonitrile adsorbed on a platinum surface to produce amines has been investigated by theoretical and in situ infrared studies. An energetic, kinetics and vibrational analysis have been ...

The present work deals with a kinetic study of the hydrogen electrode reaction (HER) on a platinum electrode modified by bismuth adatoms in both cathodic and anodic range of overpotentials. Kinetic expressions previously ...

Furfural can be converted into a wide range of high-octane products like 2-methylfuran (2-MF) through hydrodeoxygenation (HDO). Iron-based catalyst (Fe/SiO2), has shown high selectivity for gas phase conversion of furfural ...

Electrochemical deposition of platinum on different carbon substrates was applied to obtain supported submicroparticles to use as electrocatalysts for the oxidation of methanol in acid media. Particles with well-defined ...

Through density functional theory (DFT) calculations, we show that, in contrast to terrace sites of Pt(211) and Pt(111), on steplike sites of Pt(211) and Pt(110)-(2 × 1), methylene is more stable than methyl. The resulting ...

We present a new reaction model for ammonia oxidation on a Pt (533) surface and perform numerical simulations using mean field equations. Kinetic parameters were taken from experiments and Density Functional Theory (DFT) ...