Development of platinum-group-metals-containing high entropy alloys with outstanding thermal capability and hot hardness

2021 ◽  
Vol 119 (19) ◽  
pp. 191901
Author(s):  
Te-Kang Tsao ◽  
Saad Sheikh ◽  
Hideyuki Murakami
Keyword(s):  
Platinum Group Metals ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Platinum Group ◽  
Hot Hardness

On the superior hot hardness and softening resistance of AlCoCrxFeMo0.5Ni high-entropy alloys

2011 ◽  
Vol 528 (10-11) ◽  
pp. 3581-3588 ◽  
Author(s):  
Chin-You Hsu ◽  
Chien-Chang Juan ◽  
Woei-Ren Wang ◽  
Tsing-Shien Sheu ◽  
Jien-Wei Yeh ◽  
...  
Keyword(s):  
High Entropy Alloys ◽  
High Entropy ◽  
Hot Hardness

High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

2019 ◽  
Author(s):  
Jack Pedersen ◽  
Thomas Batchelor ◽  
Alexander Bagger ◽  
Jan Rossmeisl
Keyword(s):  
Density Functional ◽  
Rational Design ◽  
Hydrogen Adsorption ◽  
Co Adsorption ◽  
Reduction Reaction ◽  
Supervised Machine Learning ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Co Reduction ◽  
Disordered Alloy

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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