Stefan Ringe

Field-sensitive electrochemical reactions are controlled by electrode charging which is sensitive to the size of the electrolyte containing cations.

Abstract Electrochemical CO $$_{2}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> reduction is a potential route to the sustainable production of valuable fuels and chemicals. Here, we perform CO $$_{2}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> reduction experiments on Gold at neutral to ac

Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite solutes, implicit solvation techniques are now increasingly used in the context of first-principles modeling of electrochemistry and electrocatalysis at extended (often metallic) electrodes. The prevalent ansatz to model the latter electrodes and the reactive s

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows u

Abstract It has been over twenty years since the linear scaling of reaction intermediate adsorption energies started to coin the fields of heterogeneous and electrocatalysis as a blessing and a curse at the same time. It has established the possibility to construct activity volcano plots as a function of a single or two readily accessible adsorption energies as descriptors, but also limited the maximal catalytic conversion rate. In this work, it is found that these established adsorption energy-

Ceria (CeO₂ ) is one of the most extensively used rare earth oxides. Recently, it has been used as a support material for metal catalysts for electrochemical energy conversion. However, to date, the nature of metal/CeO₂ interfaces and their impact on electrochemical processes remains unclear. Here, a Cu-CeO₂ nanorod electrochemical CO₂ reduction catalyst is presented. Using operando analysis and computational techniques, it is found that, on the applic

The development of Cu-based catalysts for electrochemical CO2 reduction reaction (CO2RR) with stronger CO-binding elements had been unsuccessful in improving multicarbon production from the CO2RR due to CO-poisoning. Here, we discover that trace doping levels of Co atoms in Cu, termed CoCu single-atom alloy (SAA), achieve up to twice the formation rate of CO as compared to bare Cu and further demonstrate a high jC2H4 of 282 mA cm–2 at −1.01 VRHE in a neutral electrolyte. From DFT calculations, C

Over the last years, the development of highly active and durable Pt-based electrocatalysts has been identified as the main target for a large-scale industrial application of fuel cells. In this work, we make a significant step ahead in this direction by preparing a high-performance electrocatalyst and suggesting new structure-activity design concepts which could shape the future of oxygen reduction reaction (ORR) catalyst design. For this, we present a new one-dimensional nanowire catalyst cons

Implicit solvation calculations based on a Stern-layer corrected size-modified Poisson-Boltzmann (SMPB) model are an effective approach to capture electrolytic effects in first-principles electronic structure calculations. For a given salt solution, they require a range of ion-specific parameters, which describe the size of the dissolved ions as well as thickness and shape of the Stern layer. Out of this defined parameter space, we show that the Stern layer thickness expressed in terms of the so

Electrochemical reduction of CO₂ on copper-based catalysts has become a promising strategy to mitigate greenhouse gas emissions and gain valuable chemicals and fuels. Unfortunately, however, the generally low product selectivity of the process decreases the industrial competitiveness compared to the established large-scale chemical processes. Here, we present random solid solution Cu_1-<i>x</i>Ni_<i>x</i> alloy catalysts that, due to their full miscibility, enable

Herein, we have prepared platinum phosphide (PtP 2 )-based cathode electrocatalysts for HT-PEMFCs. The high activity and stability of the PtP 2 /C-based catalysts were attributed to the high oxyphilicity of the phosphorus atoms.

Correction for ‘Understanding cation effects in electrochemical CO₂ reduction’ by Stefan Ringe <italic>et al.</italic>, <italic>Energy Environ. Sci.</italic>, 2019, <bold>12</bold>, 3001–3014.

The increasing demand for short charging time on electric vehicles has motivated realization of fast chargeable lithium‐ion batteries (LIBs). However, shortening the charging time of LIBs is limited by Li + intercalation process consisting of liquid‐phase diffusion, de‐solvation, SEI crossing, and solid‐phase diffusion. Herein, we propose a new strategy to accelerate the de‐solvation step through a control of interaction between polymeric binder and solvent‐Li + complexes. For this purpose, thre

Lithium-oxygen batteries have the potential to become the most eminent solution for future energy storage with their theoretical energy density exceeding all existing batteries. However, the insulating and insoluble discharge product (lithium peroxide; Li₂O₂) impairs practical application. Conventional catalyst designs based on the electronic structure and interfacial charge transfer descriptors have not been able to overcome these limitations due to Li₂O<sub>2</