High-index facet nanostructures are deliberately targeted and synthesized by using a data-driven approach that integrates high-throughput density functional theory calculations, machine learning and experimental validation. The effectiveness of this approach is shown by the discovery and subsequent synthesis of seven monometallic and four multimetallic tetrahexahedron-shaped high-index facet nanoparticles.
- Zihao Ye
- Bo Shen
- Chad A. Mirkin
