Mechanism for oxidative dissolution of a Cr atom from a Pt surface: molecular orbital theory
Article Abstract:
A study was conducted to analyze a mechanism for the oxidative dissolution of a chromium atom from the Pt(111) surface. The semiempirical atom superposition and electron delocalization molecular orbital theory were utilized to carry out the analysis. Experimental results indicated that increases in the potential would reduce the OH bond scission activation energy barriers. Findings also showed that PtOH is held in the surface because of the blocking of the surface sites by adsorbed H2O.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
User Contributions:
Comment about this article or add new information about this topic:
Activation energies for oxygen reduction on platinum alloys: Theory and experiment
Article Abstract:
A combined theoretical and experimental analysis of the electrode potential dependencies of activation energies is presented for the first step in oxygen reduction over platinum and platinum alloy catalysts in both polycrystalline carbon supported form. Tafel data for several of the catalysts are used to predict potential dependent activation energies for oxygen reduction over the 0.6-0.9 V range in strong and weak acid.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
Oxygen electroreduction on Fe(super II) and Fe(super III) coordinated to N4 chelates. Reversible potentials for the intermediate steps from quantum theory
Article Abstract:
Fe(super II) is the potential active site for the four-electron reduction of oxygen by heat-treated iron macrocycles. The hydrogen-bonding interaction between (OHOH) bonded to FeII and a nitrogen lone-pair orbital in the N4 chelate is discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Local dielectric environment of B-DNA in solution: results from a 14 ns molecular dynamics trajectory. Energetics of base pairs in B-DNA in solution: an appraisal of potential functions and dielectric treatments
- Abstracts: Quantification of "local" surface orientation: theory and experiment. A unified treatment of selection rules and symmetry relations from sum-frequency and second harmonic spectroscopies
- Abstracts: Chain-length dependence of the dissociation dynamics of oriented molecular adsorbate: n-alkyl bromides on GaAs(110)
- Abstracts: Distribution of variances of single molecules in a disordered lattice. Synthesis, characterization, and ion-exchange properties of zinc and magnesium manganese oxides confined within MCM-41 channels
- Abstracts: Surface femtochemistry: frustrated desorption of alkali atoms from noble metals. Identification of lipid aggregate structures on TiO2 surface using headgroup IR bands