Stability and Hydrogen Affinity of Graphite-Supported Wires of Cu, Ag, Au, Ni, Pd, and Pt

Autor: Paola Quaino, Germán Soldano, Wolfgang Schmickler, Elizabeth Santos

Publikováno v: The Journal of Physical Chemistry C. 117:19239-19244

The stability of Cu, Ag, Au, Ni, Pd, and Pt nanowires supported on graphite steps is investigated by density functional theory. Two step borders are examined: armchair and zigzag. It was found that the Ni, Pd, and Pt wires are more stable than coinag

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::324b443ee3cdf5c6d7b0694085eddf07
https://doi.org/10.1021/jp406361s

Hydrogen Electrocatalysis on Single Crystals and on Nanostructured Electrodes

Autor: Paola Quaino, Peter Hindelang, Wolfgang Schmickler, Germán Soldano, Elizabeth Santos, Eduardo Nicolás Schulz

Publikováno v: ChemPhysChem. 12:2274-2279

We investigate hydrogen evolution on plain and nanostructured electrodes with a theory developed by us. On electrodes involving transition metals the most strongly adsorbed hydrogen is often only a spectator, while the reaction proceeds via a weakly

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d4962c1d8c06e3cbff897315c0a21bc
https://doi.org/10.1002/cphc.201100309

Catalytic properties of Au electrodes modified by an underlayer of Pd

Autor: Germán Soldano, Elizabeth Santos, Hazar Guesmi, M.F. Juarez, Frederik Tielens

Publikováno v: Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩
Surface Science
Surface Science, Elsevier, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩

Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90ba5c83d76c93b54ffcdf8c14e0b625
https://hal.science/hal-01118665

Structure and stability of graphene edges in O2 and H2 environments from ab initio thermodynamics

Autor: Barry W. T. Teo, M.F. Juarez, Elizabeth Santos, Germán Soldano

Edges play a determining role in the electronic and transport properties of graphene, how-ever, their actual morphology and configuration remain unknown. Using ab initio thermo-dynamics, we have systematically studied the stability and structure of a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::890d5fc0fac50a3a1eaef5b3794a5621
http://www.sciencedirect.com/science/article/pii/S0008622314006162

Orbital overlap effects in electron transfer reactions across a metal nanowire/electrolyte solution interface

Autor: Renat R. Nazmutdinov, Alexander S. Berezin, Wolfgang Schmickler, Germán Soldano

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

In this paper, we report on calculations of the orbital overlap between Fe(III) and Cr(III) aquacomplexes and different electrode surfaces: Cu(111), Ag (111), Au(111), Pt(111), and corresponding monatomic wires. The electronic structure of the monocr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adaacca9c7268c59c602dd13d6954c98
http://pubs.acs.org/doi/abs/10.1021/jp400037g