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In-situ Tracking of Pt Migration from Pt/Al2O3 to CeO2 on the Atomic and Reac...
This file contains beamtime data regarding an experiment, where Pt migrated under oxidizing conditions from Pt/Al2O3 to spatially separated CeO2. Furthermore, DFT structures for... -
Engineering PdAu/CeO2 alloy/oxide interfaces for selective methane-to-methano...
<p>The direct conversion of methane-to-methanol remains a critical challenge in methane valorization. In this study, we unveil the crucial role of... -
High-throughput calculations of catalytic properties of bimetallic alloy surf...
We present a large dataset of adsorption of H, C, N, O and S onto more than 2,000 metallic and bimetallic alloy surfaces, consisting of approximately 90,000 DFT calculations... -
Water and Cu⁺ synergy in selective CO₂ hydrogenation to methanol over Cu/MgO ...
The CO₂ hydrogenation reaction to produce methanol holds great significance as it contributes to achieving a CO₂-neutral economy. Previous research identified isolated Cu⁺... -
Replication Data for: Single-Atom Iron on Silicon Carbide Surfaces as Catalys...
This dataset contains all data generated during the study titled "Fischer-Tropsch Catalysis of Fe13 Nanoclusters on SiO2 Surfaces in Outer Space: A Quantum Mechanical Study." It... -
Replication Data for: Fischer-Tropsch Catalysis of Fe13 Nanoclusters on SiO2 ...
This dataset contains all data generated during the study titled "Fischer-Tropsch Catalysis of Fe13 Nanoclusters on SiO2 Surfaces in Outer Space: A Quantum Mechanical Study." It... -
Role of powders and coatings for relating catalytic activity and structure of...
The 'overview.txt' file describes the files and their relations to the manuscript.
