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How symmetry factors cause potential- and facet-dependent pathway shifts during CO2 reduction to CH4 on Cu electrodes
(Elsevier, 2020-12-28)
The deactivation of copper electrodes is a serious problem that can affect the scalability and deployment of CO2 electrolyzers. The effect is generally attributed to the cathodic deposition of Fe and Zn impurities from the ...
Monitoring Active Sites for Hydrogen Evolution Reaction at Model Carbon Surfaces
(RSC, 2021-03-25)
Carbon is ubiquitous as an electrode material in electrochemical energy conversion devices. If used as support material, the evolution of H2 is undesired on carbon. However, recently carbon-based materials are of high ...
Reconfigurable artificial microswimmers with internal feedback
(Nature, 2021-08-06)
Self-propelling microparticles are often proposed as synthetic models for biological microswimmers, yet they lack the internally regulated adaptation of their biological counterparts. Conversely, adaptation can be encoded ...
Mechanistic insight into electrocatalytic glyoxal reduction on copper and its relation to CO2 reduction
(Royal Society of Chemistry, 2022)
Copper electrodes produce several industrially relevant chemicals and fuels during the electrochemical CO2 reduction reaction (CO2RR). Knowledge about the reaction pathways can help tune the reaction selectivity toward ...
Structure-sensitive scaling relations among carbon-containing species and their possible impact on CO2 electroreduction
(Elsevier, 2021-01-24)
The arduous modelling of reactions at heterogeneous catalysts is greatly simplified when adsorption-energy scaling relations between intermediates exist. The offset of these linear relations is structure-independent when ...
Enhancing CO2 Electroreduction to Ethanol on Copper-Silver Composites by Opening an Alternative Catalytic Pathway
(ACS, 2020-03-16)
A fundamental question in the electrochemical CO2 reduction reaction (CO2RR) is how to rationally control the catalytic selectivity. For instance, adding a CO-producing metal like Ag to Cu shifts the latter’s CO2RR selectivity ...
Ab initio many-body perturbation theory to study molecular systems: from implementation to applications
(2022-10-04)
The theory describing the interaction between light and matter at nanoscale is nearly as old as quantum mechanics. Over the years, it has been shown that such theoretical models not only enable materials scientists to ...
Crystallization and self-assembly of ferroelectric/piezoelectric materials designed for organic electronic devices
(2022-10-04)
La presente tesis doctoral trata sobre la caracterización de diversos sistemas compuestos por PVDF. Este polímero aparte de buenas propiedades mecánicas también puede tener propiedades ferroeléctricas y piezoeléctricas, ...
Topologically-mediated energy release by relativistic antiferromagnetic solitons
(American Physical Society, 2021-10-25)
[EN]Magnetic solitons offer functionalities as information carriers in multiple spintronic and magnonic applications. However, their potential for nanoscale energy transport has not been revealed. Here we demonstrate that ...
Walker-like domain wall breakdown in layered antiferromagnets driven by staggered spin-orbit fields
(Nature, 2020-10-29)
Within linear continuum theory, no magnetic texture can propagate faster than the maximum group velocity of the spin waves. Here, by atomistic spin dynamics simulations and supported by analytical theory, we report that a ...