Noble metal-based high-entropy alloys as advanced electrocatalysts for energy conversion

Bayesian Optimization of High‐Entropy Alloy Compositions for Electrocatalytic Oxygen Reduction**

“…High-entropy alloys (HEAs;i nt he form of single-phase compositionally complex solid solutions) offer avast composition space for optimization of catalytic properties. [1][2][3][4][5] The many multi-element atomic surface sites found on such complex surfaces contribute to an ear-continuum of the reaction intermediate adsorption energies that are descriptive of catalytic activity.T ailoring the HEA composition can improve the distribution of these adsorption energies to yield better catalysts. [1] This is advantageous since new catalysts are especially needed to facilitate chemical reactions for sustainable energy conversion in order to meet the increasing global energy demand and to combat climate change.…”

Machine-learning-assisted discovery of highly efficient high-entropy alloy catalysts for the oxygen reduction reaction

“…There are several HEAs with a similar structure as above that had been synthesized and show promising catalytic activities. [40][41][42] The high disorder resulting from the completely random configuration space of HEAs can increase the mixed configuration entropy of HEAs, which is beneficial for the formation of a stable single-phase solid solution structure rather than fragile intermetallic compounds. Whether HEAs can form stable solid solutions is closely related to some thermodynamic properties of HEAs such as atomic radius, energy differences, and configurational mixing entropy.…”

“…There are several HEAs with a similar structure as above that had been synthesized and show promising catalytic activities. 40 , 41 , 42

Figure 1 The typical structure and reactive sites of HEA IrPtRuRhAg (A) The geometric structure of the equimolar IrPtRuRhAg HEA with an fcc crystal configuration. (B) The schematic diagram of finding all possible sites on HEA surface, including atop (blue), bridge (red), and hollow (black) by the Delaunay triangulate algorithm.

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Gold-based nanoalloys: synthetic methods and catalytic applications

“…The electrochemical oxidation reactions of small organic molecules play an important role in the development of environmentally-friendly and economic fuel cells, which can efficiently convert chemical energy into electric energy and enable next-generation transport tools. [193][194][195] The aforementioned small organic molecules, such as methanol, ethanol, and formic acid, possess high energy density and facile on-board storage. Typically, H 2 O and CO 2 are the main nal products of the small organic molecule oxidation reactions, in which a 2electron transfer, 6-electron transfer, and 12-electron transfer occur for the formic acid oxidation reaction (FAOR), 196 methanol oxidation reaction (MOR), 197 and ethanol oxidation reaction (EOR), 198 respectively.…”