Journal ArticleDOI
Quantum chemistry and in situ FTir spectroscopy studies on potential-dependent properties of CO adsorbed on Pt electrodes
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In this paper, the electronic and vibrational properties of CO adsorbed on Pt electrodes at different potentials have been studied, by using methods of self-consistent charge discrete variational Xα (SCC-DV-Xα) cluster calculations and in situ FT ir spectroscopy.About:
This article is published in Electrochimica Acta.The article was published on 1993-06-01. It has received 15 citations till now.read more
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Electrocatalytic Activity of Ru-Modified Pt(111) Electrodes toward CO Oxidation
TL;DR: The electrochemical deposition of Ru on Pt(111) electrodes has been investigated by electron diffraction, Auger spectroscopy, and cyclic voltammetry in a closed UHV transfer system as mentioned in this paper.
Journal ArticleDOI
Extending Surface Raman Spectroscopy to Transition Metal Surfaces for Practical Applications. 1. Vibrational Properties of Thiocyanate and Carbon Monoxide Adsorbed on Electrochemically Activated Platinum Surfaces
TL;DR: In this article, confocal microprobe Raman spectroscopy and a unique electrochemical pretreatment procedure for the Pt surface were used to extend the detailed surface Raman studies, for the first time, to bare Pt electrodes in a wide potential region (e.g. −1.0 to +1.4 V vs SCE) and to more general adsorbates such as SCN and CO having small Raman scattering cross sections.
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Quantitative vibrational sum-frequency generation spectroscopy of thin layer electrochemistry: CO on a Pt electrode
TL;DR: In this paper, a femtosecond broad-band multiplex spectroscopy setup with a polycrystalline Pt electrode with both CO-free and CO-saturated electrolytes was used for simultaneous electrochemical and vibrational sum-frequency generation.
Journal ArticleDOI
Electro-oxidation of CO at the Ru(0001) single-crystal electrode surface
TL;DR: In situ FTIR spectroscopic and electrochemical data and ex situ (emersion) electron diffraction (LEED and RHEED) and Auger spectroscopy data are presented on the structure and reactivity, with res...
Journal ArticleDOI
In situ FTIRS investigations of surface processes of Rh electrode - Novel observation of geminal adsorbates of carbon monoxide on Rh electrode in acid solution
Wen-Feng Lin,Shi-Gang Sun +1 more
TL;DR: In this paper, two types of adsorbed geminal CO have been observed for the first time at an electrochemically modified Rh electrode with the help of in situ multi-step FTIR Spectroscopy.
References
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Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
TL;DR: In this paper, a numerical-variational computational scheme for performing self-consistent molecular MO LCAO calculations in the HFS model is presented, where the local exchange approximation is used, but the usual muffin-tin approximation for potentials or densities is avoided.
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Calculations of molecular ionization energies using a self‐consistent‐charge Hartree–Fock–Slater method
Andrew S. Rosen,Andrew S. Rosen,Donald E Ellis,H. Adachi,H. Adachi,F. W. Averill,F. W. Averill +6 more
TL;DR: In this paper, a numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented, where wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atom-like problems.
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An efficient numerical multicenter basis set for molecular orbital calculations: Application to FeCl4
F. W. Averill,Donald E Ellis +1 more
TL;DR: The use of numerical solutions to atom-like single site potentials as a basis for molecular orbital calculations is investigated in this article, where the atomic Hamiltonian is modified by adding a potential well to induce additional discrete levels with the desired spatial characteristics.
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The interaction of CO and Pt(100). I. Mechanism of adsorption and Pt phase transition
TL;DR: In this article, the CO/Pt(100) system was investigated and the mechanism of the adsorbate-induced Pt phase transition was explained, where the CO molecules occupied on top adsorption sites.
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Electrode/electrolyte interphase study using polarization modulated ftir reflection-absorption spectroscopy
TL;DR: In this paper, a polarization modulated Fourier transform infrared reflection-absorption spectroscopy (FT-IRRAS) was applied to the studies of adsorption and oxidation of CO on a platinum electrode in 0.5 M sulfuric acid and of cyanide on gold and silver electrodes in 0.5 M potassium sulfate.