相关论文: Efficient Electrochemical CO2 Reduction Reaction o…
Sequential deprotonation of the Cr3+ hexahydrate in an alkaline environment up to the stage of a charge-neutral active hydroxide was studied via density functional theory. The deprotonation could be characterized as autocatalytic since upon…
Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles…
Catalysis has entered everyday life through a number of technological processes relying on different catalytic systems. The increasing demand for such systems requires rationalization of the use of their expensive components, like noble…
Difficulties associated with the integration of liquids into a UHV environment make surface-science style studies of mineral dissolution particularly challenging. Recently, we developed a novel experimental setup for the UHV-compatible…
Polyurethane (PU) and its numerous fine-tuned derivatives are widely employed as CO2 scavengers thanks to (1) physisorption and (2) functionalization of the PU backbone with other CO2 sorbents. In the present work, it has been unraveled why…
NADH is a key biomolecule involved in many biocatalytic processes as cofactor and its quantification can be correlated to specific enzymatic activity. Many efforts have been taken to obtain clean electrochemical signals related to NADH…
The integration of functional proteins into solid-state electronic devices remains a central challenge in molecular bioelectronics due to the fragile nature of protein structures and their complex charge-transport behaviour. Here, we…
The exploration of advanced CO-free catalysts and clarifying the ambiguous kinetic origins and governing factors would undoubtedly open up opportunities to overcome the sluggish kinetics of methanol electrooxidation and promote the…
Achieving versatile routes to generate crystalline carbon-based nanostructures has become a fervent pursuit in photocatalysis-related fields. We demonstrate that the direct electrooxidation of ethanol, performed on Ni foam, yields…
Electrochemical reduction of CO2 to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ILs electrolyte remains a challenge. In this study, the IL N octyltrimethyl 1,2,4 triazole ammonium…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
Controlling the redox landscape of transition metal oxides is central to advancing their reactivity for heterogeneous catalysis or high-performance gas sensing. Here we report single Cu atom sites (1.42 wt%) anchored on Co3O4 nanoparticles…
The nitrogen (N2) reduction reaction (NRR) is an eco-friendly alternative to the Haber-Bosch process to produce ammonia (NH3) with high sustainability. However, the significant magnitude of uphill energies in the multi-step NRR pathways is…
In recent years, rapid progress has been made in solid-state lithium batteries. Among various technologies, coating the surface of electrodes or electrolytes has proven to be an effective method to enhance interfacial stability and improve…
Defect engineering enables hexagonal boron nitride (h-BN) to act as a platform for stabilizing isolated metal atoms, yet systematic identification of catalytically viable motifs remains limited. Here, density functional theory is used to…
An extremely efficient ethanol fuel cell electrode is produced by combining the large surface area of vertically oriented and highly conductive few-layer graphene sheets with electrochemically deposited palladium nanoparticles. The…
A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more…
We show that multiple-photon absorption of radiation from a 10.56 {\mu}m cw CO2 laser by intermediates (ethylene, vinylidene) generated in pure acetylene flow makes them decompose to carbon dimers and excited hydrogen. The latter associates…
The corrosion of materials is an undesirable and costly process affecting many areas of technology and everyday life. As such, considerable effort has gone into understanding and preventing it. Organic molecule based coatings can in certain…
We study the influence of airborne CO2 on the charge state of carboxylate stabilized polymer latex particles suspended in aqueous electrolytes. We combine conductometric experiments interpreted in terms of Hessinger's conductivity model…