Understanding electrochemical interfaces through comparing experimental and computational charge density–potential curves

N Mohandas, S Bawari, JJT Shibuya, S Ghosh… - Chemical …, 2024 - pubs.rsc.org
Electrode–electrolyte interfaces play a decisive role in electrochemical charge accumulation
and transfer processes. Theoretical modelling of these interfaces is critical to decipher the …

Interfacial Acid–Base Equilibria and Electric Fields Concurrently Probed by In Situ Surface-Enhanced Infrared Spectroscopy

MF Delley, EM Nichols, JM Mayer - Journal of the American …, 2021 - ACS Publications
Understanding how applied potentials and electrolyte solution conditions affect interfacial
proton (charge) transfers at electrode surfaces is critical for electrochemical technologies …

Insights into the effect of surface ligands on the optical properties of thiolated Au 25 nanoclusters

X Yuan, N Goswami, W Chen, Q Yao… - Chemical …, 2016 - pubs.rsc.org
An abnormal optical absorption at about 780 and 980 nm was observed for Au25
nanoclusters (NCs) protected by negatively charged thiolate ligands collocating with …

Enhancing stability through ligand-shell engineering: A case study with Au25(SR)18 nanoclusters

X Yuan, N Goswami, I Mathews, Y Yu, J Xie - Nano Research, 2015 - Springer
While thiolate-protected Au nanoclusters (NCs) have drawn considerable interest in various
fields, their poor stability in aqueous solution remains a major hurdle for practical …

Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method

YH Fang, GF Wei, ZP Liu - Catalysis today, 2013 - Elsevier
It has been a long challenge to understand the equilibrium and the dynamic phenomena (eg
chemical reactions) at the electrode/electrolyte interface in a unified theoretical framework …

[HTML][HTML] Vibrational Stark effect of the electric-field reporter 4-mercaptobenzonitrile as a tool for investigating electrostatics at electrode/SAM/solution interfaces

G Schkolnik, J Salewski, D Millo, I Zebger… - International journal of …, 2012 - mdpi.com
4-mercaptobenzonitrile (MBN) in self-assembled monolayers (SAMs) on Au and Ag
electrodes was studied by surface enhanced infrared absorption and Raman spectroscopy …

Efficiency of Enzymatic O2 Reduction by Myrothecium verrucaria Bilirubin Oxidase Probed by Surface Plasmon Resonance, PMIRRAS, and Electrochemistry

C Gutierrez-Sanchez, A Ciaccafava, PY Blanchard… - Acs …, 2016 - ACS Publications
Deciphering which parameters control the immobilization of enzymes on solid supports is
essential for the development of biotechnological devices such as biosensors, bioreactors …

Stimuli-Responsive Oligourea Molecular Films

A Grempka, D Dziubak, AK Puszko… - … Applied Materials & …, 2024 - ACS Publications
We have designed and synthesized a helical cysteamine-terminated oligourea foldamer
composed of ten urea residues featuring side carboxyl and amine groups. The carboxyl …

Measurements of the Potentials of Zero Free Charge and Zero Total Charge for 1-thio- ± bβ-D-glucose and DPTL Modified Au(111) Surface in Different Electrolyte …

Z Su, J Leitch, J Lipkowski - Zeitschrift für Physikalische Chemie, 2012 - degruyter.com
The immersion method was used to measure the potential of zero free charge (E pzfc) of a
bare Au (111) electrode and the electrode modified by self-assembled monolayers (SAMs) …

Proton transfer voltammetry at electrodes modified with acid thiol monolayers

AM Luque, WH Mulder, JJ Calvente, A Cuesta… - Analytical …, 2012 - ACS Publications
By combining a description of the potential profile at electrodes coated with acid thiol
monolayers with a quadratic relationship between activation energy and electrode potential …