Abstract Understanding the mechanism of CO 2 reduction on iron is crucial for design more efficient and cheaper electrocatalyst conversion. In present study, we have employed spin-polarized density functional theory calculations within generalized gradient approximation (DFT-GGA) to elucidate into carbon monoxide formic acid Fe (100) facet. We also sort understand transformations other isomers ...

Natural formation of the bcc modification for Co was demonstrated to occur upon precipitation of Co in supersaturated Au90Co10 alloy. The microstructural evolution was investigated by high resolution transmission electron microscopy. Co precipitation starts with the formation of very thin coherent plates along {100}Au. This initially precipitated Co was shown to be a hitherto unknown metastable...

Conclusions The application of the mixed monolayer approach to gold electrodes coated with highly organized long-chain hydrocarbon amphiphiles enables us a t this point to obtain complete blocking of the electrode, or, by controlling the adsorption conditions, to leave a certain amount of natural pinholes. Both cases are of considerable interest from an electrochemical point of view. In the pre...

The structure of CO~ and CO monolayers adsorbed on MgO(100) single crystal surfaces has been determmed by both LEED and semi-empincal potential calculations. The CO~ overlayer forms a commensurate (2,é