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Mechanical work makes important contributions to surface chemistry at steps
Related publications (33)
Computational Studies for the Design of Metalloenzyme Mimics
At present, there is no general standard automated method for engineering metalloenzymes, industrially-relevant systems able to catalyze environmentally friendly reactions. One of the most studied natural metalloenzymes is the second isoform of human carbo ...
EPFL2023Influence of sustained loading on resistance and deformation capacity of reinforced concrete members in compression
Aurelio Muttoni, Xhemsi Malja, Miguel Fernández Ruiz
As acknowledged explicitly or implicitly in most of current design codes, a high level of sustained loading has a detrimental effect on the concrete compressive strength. However, its beneficial effect in terms of deformation capacity is neglected in most ...
ERNST & SOHN2022High Permittivity Siloxanes as Promising Materials for Dielectric Elastomer Transducers: From Synthesis to Application
The speed of change in the modern world is impressive. Within the last 50 years, many devices and technologies have significantly transformed their appearance, intrinsic characteristics and improved their performance. Computers have changed from the size o ...
EPFL2022Molecular Engineering of Electrode Surfaces for Electrocatalysis
Electrocatalysts play an important part on the route towards environmental friendly energy sources. They support modern technologies like fuel cells to move further away from the utilization of fossil fuels and the resulting CO2 emission into our atmospher ...
EPFL2020Computational Modeling of the Oxygen Evolution Reaction at Semiconductor-Water Interfaces: A Path Towards Breaking Linear Scaling Relationships
Photoelectrochemical water splitting is a promising source of clean, renewable fuel in the form of hydrogen. Despite extensive research endeavors, the widespread adoption of this technology is impeded due to suboptimal catalysts for the oxygen evolution re ...
EPFL2020Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations
Jeremy Samuel Arey, Peter Rudolf Tentscher, Daniela Trogolo
Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to estimate ...
AMER CHEMICAL SOC2019Out-of-plane instability of thin reinforced concrete walls under seismic loading
Out of plane instability of reinforced concrete walls is a failure mechanism observed rather recently following the earthquakes in Chile (2010) and New Zealand (2011). Global out of plane instability is a phenomenon that may occur in thin walls, subjected ...
EPFL2018Unraveling Metal/Pincer Ligand Effects in the Catalytic Hydrogenation of Carbon Dioxide to Formate
Matthew Wodrich, Boodsarin Sawatlon
The hydrogenation of carbon dioxide to formate is an intriguing reaction from both an environmental and an energy perspective, primarily due to the prospective uses of the product as a platform chemical in numerous applications such as an organic hydrogen ...
AMER CHEMICAL SOC2018Elastic Effects in Adsorbate-Adsorbate Interactions of C and S on a Stepped Ru Surface
William Curtin, Michael Frederick Francis
We examine strain modification of adsorbate adsorbate inter- action in the (C*+S*)/fcc-Ru(211) system for relevance to biomass to hydrocarbon catalysis and the broader case of interaction changes under strain. Applied biaxial strains from -3% to +3% shift ...
Amer Chemical Soc2017Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)
William Curtin, Michael Frederick Francis
Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction e ...
Amer Chemical Soc2017