Publications in V-Sustain

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2020
17 JUL

Dipole-Field Interactions Determine the CO2 Reduction Activity of 2D Fe-N-C Single...

Iron–nitrogen-doped graphene (FeNC) has emerged as an exciting earth-abundant catalyst for electrochemical CO2 reduction (CO2R). However, standard theoretical approaches...

14 JUL

Readily Constructed Glass Piston Pump for Gas Recirculation

The recirculation of gases in a sealed reactor system is a broadly useful method in catalytic and electrocatalytic studies. It is especially relevant when a reactant gas...

09 JUL

Electric Field Effects in Oxygen Reduction Kinetics. Rationalizing pH-Dependence...

In this work, we develop a new microkinetic model for the oxygen reduction reaction (ORR) which incorporates field effects into the established computational hydrogen electrode...

18 JUN

Optimizing Ni‐Fe‐Ga alloys into Ni2FeGa for the hydrogenation of CO2 into methanol

A screening study of the catalytic performance of ternary alloy nanoparticles containing nickel, iron and gallium supported on silica for methanol synthesis from CO2 and...

10 JUN

Operando identification of site-dependent water oxidation activity on ruthenium...

Understanding the nature of active sites is central to controlling (electro)catalytic activity. Here we employed surface X-ray scattering coupled with density functional...

05 JUN

Insights in the Oxygen Reduction Reaction. From Metallic Electrocatalysts to Diporphyrins

In the past decade, the mass activity of catalysts for the oxygen reduction reaction (ORR) has been improved mainly via increasing the number of active sites. However...

01 JUN

A cyclic electrochemical strategy to produce acetylene from CO2, CH4, or alternative...

Electrochemical transformation of potent greenhouse gases such as CO2 and CH4 to produce useful carbon-based products is a highly desirable sustainability goal. However...

28 APR

Parallel Evaluation of the BiI3, BiOI, and Ag(3)Bil(6) Layered Photoabsorbers

The bismuth-based (oxy)iodides BiI3, BiOI, and AgxBiIx+3 share similar layered crystal structures, optimal band gaps for top absorbers in tandem solar cells, and moderate...

27 APR

Catalytic Polysulfide Conversion and Physiochemical Confinement for Lithium-Sulfur...

The lithium–sulfur (Li–S) battery is widely regarded as a promising energy storage device due to its low price and the high earth‐abundance of the materials employed. However...

14 APR

Solvation at metal-water interfaces. An ab initio molecular dynamics benchmark...

Rationalizing the influence of the solvent on electrochemical reaction energetics is a central challenge in our understanding of electrochemical interfaces. To date, it...

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