Ab initio simulations of water/metal interfaces
Structures and processes at water/metal interfaces play an important technological role in
electrochemical energy conversion and storage, photoconversion, sensors, and corrosion …
electrochemical energy conversion and storage, photoconversion, sensors, and corrosion …
Conversion of biomass into chemicals over metal catalysts
M Besson, P Gallezot, C Pinel - Chemical reviews, 2014 - ACS Publications
The catalytic conversion of biomass and derivatives to chemicals has been the subject of
intense research efforts during the past decade resulting in a 20% annual increase in the …
intense research efforts during the past decade resulting in a 20% annual increase in the …
High‐performance hydrogen evolution by Ru single atoms and nitrided‐Ru nanoparticles implanted on N‐doped graphitic sheet
The most efficient electrocatalyst for the hydrogen evolution reaction (HER) is a Pt‐based
catalyst, but its high cost and nonperfect efficiency hinder wide‐ranging industrial …
catalyst, but its high cost and nonperfect efficiency hinder wide‐ranging industrial …
The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy
The molecular structure of the electrical double layer determines the chemistry in all
electrochemical processes. Using x-ray absorption spectroscopy (XAS), we probed the …
electrochemical processes. Using x-ray absorption spectroscopy (XAS), we probed the …
Titanium dioxide (anatase and rutile): surface chemistry, liquid–solid interface chemistry, and scientific synthesis of supported catalysts
Solid catalysts are very useful functional materials, which are used in 90% of industrial
processes. The most important are the supported ones. In these catalysts, nanoparticles of …
processes. The most important are the supported ones. In these catalysts, nanoparticles of …
Interfacial water shuffling the intermediates of hydrogen oxidation and evolution reactions in aqueous media
The kinetics of the hydrogen oxidation and evolution reactions (HOR/HER) of platinum in
aqueous solutions remains elusive, partly because of the lack of means to explore the …
aqueous solutions remains elusive, partly because of the lack of means to explore the …
Water adsorption and the wetting of metal surfaces
A Hodgson, S Haq - Surface science reports, 2009 - Elsevier
Water adsorption at metal surfaces is governed by a subtle balance between water–water
hydrogen bonding and water–metal interactions, which together determine the stability of …
hydrogen bonding and water–metal interactions, which together determine the stability of …
Surface oxygen vacancy enhanced the activation of peroxymonosulfate on α-Ni0. 2Fe1. 8O3 for water decontamination: The overlooked role of H2O in interface …
S Wang, J Kang, P Yan, J Shen, J Zuo, Y Cheng… - Applied Catalysis B …, 2024 - Elsevier
Oxygen vacancies (OVs)-rich α-Ni 0.2 Fe 1.8 O 3 with dual metal sites was synthesized by Ni
2+ isomorphously substituted α-Fe 2 O 3 to activate peroxymonosulfate (PMS) for …
2+ isomorphously substituted α-Fe 2 O 3 to activate peroxymonosulfate (PMS) for …
Reactivity theory of transition-metal surfaces: a Brønsted− Evans− Polanyi linear activation energy− free-energy analysis
RA Van Santen, M Neurock, SG Shetty - Chemical reviews, 2009 - ACS Publications
The exponential increase in computational processor speed, the development of novel
computational architectures, together with the tremendous advances in ab initio theoretical …
computational architectures, together with the tremendous advances in ab initio theoretical …
Molecular structure of water at interfaces: Wetting at the nanometer scale
The structure of water at the interface with other materials is thought to determine their
wetting properties and underlies the vast array of phenomena known under the names of …
wetting properties and underlies the vast array of phenomena known under the names of …