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Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates
(MDPI, 2022-12-23)
Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their ...
Collective Electronic and Magnetic States in Two-Dimensional Transition Metal Dichalcogenides
(2022-03-25)
Single-layer (SL) transition metal dichalcogenide (TMD) materials possess a variety of collective electronic phases such as superconductivity (SC), charge density wave (CDW) order, and magnetic correlations, which exhibit ...
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 Structure of Ethanol-Producing Active Sites at Oxide-Derived Cu Electrocatalysts
(ACS, 2020-08-21)
The discovery of oxide-derived copper catalysts for CO2 electroreduction is an outstanding advance in the field of electrocatalysis. Their low overpotentials and improved selectivity towards C2 products make them unique. ...
Structure dependency of the atomic-scale mechanisms of platinum electro-oxidation and dissolution
(Springer Nature, 2020-08-24)
Platinum dissolution and restructuring due to surface oxidation are primary degradation mechanisms that limit the lifetime of Pt-based electrocatalysts for electrochemical energy conversion. Here, we studied well-defined ...
Designing water splitting catalysts using rules of thumb: advantages, dangers and alternatives
(RSC, 2020-03-09)
Thermodynamic analysis of the oxygen evolution reaction (OER) hints toward an intrinsic overpotential caused by the nonoptimal adsorption-energy scaling relation between OH and OOH. Consequently, nowadays it is a widely ...
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 ...