Search
Now showing items 1-8 of 8
Different promoting roles of ruthenium for the oxidation of primary and secondary alcohols on PtRu electrocatalysts
(Elsevier, 2021-06-17)
This study shows remarkably different features between the oxidation of secondary and primary C3-C5 alcohols. The oxidation of primary alcohols is controlled by the oxidative removal of blocking adsorbates, such as CO, ...
Toward Efficient Tandem Electroreduction of CO2 to Methanol using Anodised Titanium
(ACS, 2021-06-28)
The electroreduction of CO2 (CO2RR) using renewable electricity is an appealing route to synthesize methanol (CH3OH), a valuable C1 feedstock and fuel. Unfortunately, there are still no workhorse electrocatalysts with ...
Theory-guided enhancement of CO2 reduction to ethanol on Ag-Cu tandem catalysts via particle-size effects
(ACS, 2021-10-18)
In the CO2 reduction reaction, the design of electrocatalysts that selectively promote alcohols over hydrocarbons (e.g., ethanol over ethylene) hinges on the understanding of the pathways and specific sites that forms ...
Selectivity Map for the Late Stages of CO and CO2 Reduction to C2 Species on Cu Electrodes
(Wiley, 2021-02-01)
The electrochemical CO and CO2 reduction reactions (CORR and CO2RR) using copper catalysts and renewable electricity hold promise as a carbon-neutral route to produce commodity chemicals and fuels. However, the exact ...
Elucidating the Facet-dependent Selectivity for CO2 Electroreduction to Ethanol of Cu-Ag Tandem Catalysts
(ACS, 2021-04-07)
Despite being desirable high-value products of the electrochemical CO2 reduction reaction (CO2RR), alcohols are still obtained with lower selectivity compared to hydrocarbons and the reaction pathways leading to their ...
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 ...
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 ...
Fast correction of errors in the DFT-calculated energies of gaseous nitrogen-containing species
(Wiley, 2021-03-03)
Modeling adsorption phenomena on surfaces by DFT calculations often involves substantial errors, resulting in inaccurate predictions of catalytic activities. Such errors partly stem from the inaccurate description of the ...