Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts
Yonggang Yao, Zhenyu Liu, Pengfei Xie, Zhennan Huang, Tangyuan Li, David J. Morris, Y. Zou Finfrock, Jihan Zhou, Miaolun Jiao, Jinlong Gao, Yimin Mao, Jianwei Miao, Peng Zhang, Reza Shahbazian‐Yassar, Chao Wang, Guofeng Wang, Liangbing Hu
Abstract
decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.
Topics & Concepts
AlloyCatalysisMaterials scienceComputer scienceNanotechnologyChemistryComposite materialOrganic chemistryMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science