pH and alkali cation effects on the Pt cyclic voltammogram explained using density functional theory

IT McCrum, MJ Janik - The Journal of Physical Chemistry C, 2016 - ACS Publications
Platinum electrode cyclic voltammograms show features at low potentials which correspond
to adsorption/desorption processes on Pt (111), Pt (100), and Pt (110) facets that have …

In Situ Raman Study of CO Electrooxidation on Pt(hkl) Single‐Crystal Surfaces in Acidic Solution

M Su, JC Dong, JB Le, Y Zhao… - Angewandte Chemie …, 2020 - Wiley Online Library
The adsorption and electrooxidation of CO molecules at well‐defined Pt (hkl) single‐crystal
electrode surfaces is a key step towards addressing catalyst poisoning mechanisms in fuel …

Oxygen reduction at platinum electrodes: The interplay between surface and surroundings properties

AM Gomez-Marin, JM Feliu - Current Opinion in Electrochemistry, 2018 - Elsevier
In this work, recent progress in the understanding of the mechanism of the oxygen reduction
reaction at Pt surfaces is shortly reviewed. Specifically, the presence of a soluble and short …

Solvent–adsorbate interactions and adsorbate-specific solvent structure in carbon dioxide reduction on a stepped Cu surface

T Ludwig, JA Gauthier, KS Brown, S Ringe… - The Journal of …, 2019 - ACS Publications
In this work, the structure of water and its interactions with various carbon dioxide reduction
intermediates adsorbed on a Cu (211) surface is investigated using density functional …

Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement

R Sundararaman, K Schwarz - The Journal of chemical physics, 2017 - pubs.aip.org
Ab initio modeling of electrochemical systems is becoming a key tool for understanding and
predicting electrochemical behavior. Development and careful benchmarking of …

Activities and stabilities of Au-modified stepped-Pt single-crystal electrodes as model cathode catalysts in polymer electrolyte fuel cells

K Kodama, R Jinnouchi, N Takahashi… - Journal of the …, 2016 - ACS Publications
The purpose of this study is to test the concept of protecting vulnerable sites on cathode
catalysts in polymer electrolyte fuel cells. Pt single-crystal surfaces were modified by …

Cation–hydroxide–water coadsorption inhibits the alkaline hydrogen oxidation reaction

HT Chung, U Martinez, I Matanovic… - The Journal of Physical …, 2016 - ACS Publications
Rotating disk electrode voltammograms and infrared reflection absorption spectra indicate
that the hydrogen oxidation reaction of platinum in 0.1 M tetramethylammonium hydroxide …

Electronic structure calculations on electrolyte–electrode interfaces: successes and limitations

R Jinnouchi, K Kodama, Y Morimoto - Current Opinion in Electrochemistry, 2018 - Elsevier
Density functional theory calculations on electrolyte–electrode interfaces are briefly
reviewed in this article. The calculation methods are roughly categorized into two types …

First principles simulations of cyclic voltammograms on stepped Pt (553) and Pt (533) electrode surfaces

IT McCrum, MJ Janik - ChemElectroChem, 2016 - Wiley Online Library
Density functional theory (DFT) calculations are used to examine hydrogen and hydroxide
adsorption on stepped Pt (553) and Pt (533) surfaces and to simulate the associated cyclic …

Infrared spectroscopy of adsorbed OH on n (111)–(100) and n (111)–(111) series of Pt electrode

T Ueno, H Tanaka, S Sugawara, K Shinohara… - Journal of …, 2017 - Elsevier
Infrared spectroscopy of adsorbed hydroxide (OH ad) has been performed on the high index
planes of Pt: n (111)–(100) and n (111)–(111) series. The bending mode of OH ad (δ PtOH) …