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Machine learning: accelerating materials development for energy storage and conversion
With the development of modern society, the requirement for energy has become
increasingly important on a global scale. Therefore, the exploration of novel materials for …
increasingly important on a global scale. Therefore, the exploration of novel materials for …
Activity and selectivity trends in electrocatalytic nitrate reduction on transition metals
Electrocatalytic reduction is a promising approach to remediate nitrate (NO3–), one of the
world's most widespread water pollutants. In the present work, we elucidate activity and …
world's most widespread water pollutants. In the present work, we elucidate activity and …
Cobalt carbide nanoprisms for direct production of lower olefins from syngas
L Zhong, F Yu, Y An, Y Zhao, Y Sun, Z Li, T Lin, Y Lin… - Nature, 2016 - nature.com
Lower olefins—generally referring to ethylene, propylene and butylene—are basic carbon-
based building blocks that are widely used in the chemical industry, and are traditionally …
based building blocks that are widely used in the chemical industry, and are traditionally …
[PDF][PDF] Machine learning for heterogeneous catalyst design and discovery
BR Goldsmith, J Esterhuizen, JX Liu, CJ Bartel… - 2018 - deepblue.lib.umich.edu
Advances in machine learning (ML) are making a large impact in many fields, including:
artificial intelligence, 1 materials science, 2, 3 and chemical engineering. 4 Generally, ML …
artificial intelligence, 1 materials science, 2, 3 and chemical engineering. 4 Generally, ML …
Direct conversion of CO and H2O to hydrocarbons at atmospheric pressure using a TiO2−x/Ni photothermal catalyst
Hydrocarbon fuels can be synthesized from CO and water via Kölbel–Engelhardt synthesis,
a thermocatalytic process in which temperatures of≥ 200° C and elevated pressures are …
a thermocatalytic process in which temperatures of≥ 200° C and elevated pressures are …
Efficient Base-Metal NiMn/TiO2 Catalyst for CO2 Methanation
Energy storage solutions are a vital component of the global transition toward renewable
energy sources. The power-to-gas (PtG) concept, which stores surplus renewable energy in …
energy sources. The power-to-gas (PtG) concept, which stores surplus renewable energy in …
Crystallographic dependence of CO activation on cobalt catalysts: HCP versus FCC
Identifying the structure sensitivity of catalysts in reactions, such as Fischer–Tropsch
synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in …
synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in …
High alcohols synthesis via Fischer–Tropsch reaction at cobalt metal/carbide interface
Utilization of nonprecious transition metals for high alcohols synthesis is of a great
importance in heterogeneous catalysis. We synthesized successfully cobalt metal-carbide …
importance in heterogeneous catalysis. We synthesized successfully cobalt metal-carbide …
Catalytic materials and chemistry development using a synergistic combination of machine learning and ab initio methods
First principles-based molecular modelling plays a crucial role in the development of novel
catalytic materials and in the investigation of catalytic chemical reactions. However, the …
catalytic materials and in the investigation of catalytic chemical reactions. However, the …
[HTML][HTML] Optimum Cu nanoparticle catalysts for CO2 hydrogenation towards methanol
Understanding the mechanism of CO 2 hydrogenation to methanol is important in the
context of renewable energy storage from societal and technological point of view. We use …
context of renewable energy storage from societal and technological point of view. We use …