Ontology highlight
ABSTRACT:
SUBMITTER: Yao Y
PROVIDER: S-EPMC7069714 | biostudies-literature | 2020 Mar
REPOSITORIES: biostudies-literature
Yao Yonggang Y Liu Zhenyu Z Xie Pengfei P Huang Zhennan Z Li Tangyuan T Morris David D Finfrock Zou Z Zhou Jihan J Jiao Miaolun M Gao Jinlong J Mao Yimin Y Miao Jianwei John JJ Zhang Peng P Shahbazian-Yassar Reza R Wang Chao C Wang Guofeng G Hu Liangbing L
Science advances 20200313 11
Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functiona ...[more]