Morphology-Dependent CO Reduction Kinetics and Surface Copper Species Evolution of Cu2O Nanocrystals

Using the high-entropy alloys (HEAs) CoCuGaNiZn and AgAuCuPdPt as starting points we provide a framework for tuning the composition of disordered multi-metallic alloys to control the selectivity and activity of the reduction of carbon dioxide (CO2) to highly reduced compounds. By combining density functional theory (DFT) with supervised machine learning we predicted the CO and hydrogen (H) adsorption energies of all surface sites on the (111) surface of the two HEAs. This allowed an optimization for the HEA compositions with increased likelihood for sites with weak hydrogen adsorption{to suppress the formation of molecular hydrogen (H2) and with strong CO adsorption to favor the reduction of CO. This led to the discovery of several disordered alloy catalyst candidates for which selectivity towards highly reduced carbon compounds is expected, as well as insights into the rational design of disordered alloy catalysts for the CO2 and CO reduction reaction.

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Effect of H2O Partial Pressure on Reduction Kinetics of Iron-Based Fischer-Tropsch Catalyst

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90820 ◽

2010 ◽

Vol 31 (2) ◽

pp. 205-212

Author(s):

Hong WANG ◽

Yong YANG ◽

Baoshan WU ◽

Jian XU ◽

Hulin WANG ◽

...

Keyword(s):

Partial Pressure ◽

Reduction Kinetics ◽

Fischer Tropsch ◽

Iron Based ◽

Kinetics Of

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The Influence of Benthic Biota on Copper Speciation and Distribution in Freshwater-Sediment Systems

Water Quality Research Journal ◽

10.2166/wqrj.1981.005 ◽

1981 ◽

Vol 16 (1) ◽

pp. 45-58 ◽

Cited By ~ 3

Author(s):

G. Krantzberg ◽

P.M. Stokes

Keyword(s):

Freshwater Sediment ◽

Benthic Macroinvertebrate ◽

Macroinvertebrate Communities ◽

Copper Species ◽

Copper Speciation ◽

Physico Chemical ◽

Macro Benthos

Abstract An investigation was made of the effects exerted by benthic macroinvertebrate communities on copper speciation in sediments from a lake which is becoming acidified. In laboratory microcosms, benthic macroinvertebrate communities stimulated the flux of copper from sediment to water. The presence of the macro-benthos resulted in a redistribution of physico-chemical copper species within the sediment with a transfer from more strongly complexed forms (HC1 extractable) to adsorbed and cation exchangeable forms (MgCl2 extractable). The role of bio-turbation in copper transformations is discussed.

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