Size- and shape-dependent energetics of nanocrystal interfaces: experiment and simulation |
| |
Authors: | Bording J K Li B Q Shi Y F Zuo J M |
| |
Institution: | Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1304 West Green Street, Urbana, Illinois 61801, USA. |
| |
Abstract: | We study the interface energetics of Ag nanocrystals on a H-passivated Si(111) surface by a transmission electron microscopy experiment and molecular dynamics simulations. The annealed nanocrystals are oriented with Ag(111)||Si(111). Azimuthally, epitaxy is preferred for nanocrystals with an interface larger than a coincident-site-lattice (CSL) cell. The equilibrium orientation, or interface energy minimum, depends on the interface size and shape. For interfaces approaching a CSL cell in size ( approximately 2 nm nanocrystals), fluctuations of a single atom at an interface can lead to large variations in nanocrystal orientations. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|