Publications in V-Sustain

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2020
02 NOV

Vanadium oxynitrides as stable catalysts for electrochemical reduction of nitrogen...

Electrochemical reduction of nitrogen to ammonia can potentially replace the existing centralized fossil fuel-based Haber–Bosch process with small, decentralized units...

21 OCT

Anodic molecular hydrogen formation on Ru and Cu electrodes

hemical hydrogen adsorption and desorption, and the state of adsorbed hydrogen (*H) on metal surfaces are of fundamental interest as well as practical importance for the...

21 OCT

High-throughput computational screening for two-dimensional magnetic materials...

We perform a computational screening for two-dimensional (2D) magnetic materials based on experimental bulk compounds present in the Inorganic Crystal Structure Database...

01 OCT

Assessing the defect tolerance of kesterite-inspired solar absorbers

Various thin-film I2–II–IV–VI4 photovoltaic absorbers derived from kesterite Cu2ZnSn(S,Se)4 have been synthesized, characterized, and theoretically investigated in the...

17 SEP

Realistic Cyclic Voltammograms from Ab Initio Simulations in Alkaline and Acidic...

Cyclic voltammograms are key to much of the accumulated understanding of the nature of electrochemical interfaces; however, they provide no direct information on the atomic...

07 SEP

Role of ion-selective membranes in the carbon balance for CO.2 electroreductionviagas...

In this work, the effect of ion-selective membranes on the detailed carbon balance was systematically analyzed for high-rate CO2 reduction in GDE-type flow electrolyzers...

31 AUG

X-ray Absorption Spectroscopy Investigation of Platinum-Gadolinium Thin Films...

Alloys of platinum and lanthanides present a remarkable activity for the oxygen reduction reaction—both in the form of extended surfaces and nanoparticulate catalysts...

24 AUG

Self-supported Pt-CoO networks combining high specific activity with high surface...

Several concepts for platinum-based catalysts for the oxygen reduction reaction (ORR) are presented that exceed the US Department of Energy targets for Pt-related ORR mass...

13 AUG

Methanol-Assisted Autocatalysis in Catalytic Methanol Synthesis

Catalytic methanol synthesis is one of the major processes in the chemical industry and may grow in importance, as methanol produced from CO2 and sustainably derived H2...

01 AUG

Facet-dependent electrocatalytic water splitting reaction on CeO2. A DFT + U study

Ceria has attracted considerable interest for the high-temperature electrocatalytic water splitting reaction (WSR) in solid oxide electrolysis cells (SOECs) due to the...

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