title: Inoculation of silicon nanoparticles with silver atoms.
abstract: Silicon (Si) nanoparticles were coated inflight with silver (Ag) atoms using a novel method to prepare multicomponent heterostructured metal-semiconductor nanoparticles. Molecular dynamics (MD) computer simulations were employed, supported by high-resolution bright field (BF) transmission electron microscopy (HRTEM) and aberration-corrected scanning transmission electron microscopy (STEM) with a resolution ≤0.1 nm in high angle annular dark field (HAADF) mode. These studies revealed that the alloying behavior and phase dynamics during the coating process are more complex than when attaching hetero-atoms to preformed nanoparticles. According to the MD simulations, Ag atoms condense, nucleate and diffuse into the liquid Si nanoparticles in a process that we term "inoculation", and a phase transition begins. Subsequent solidification involves an intermediate alloying stage that enabled us to control the microstructure and crystallinity of the solidified hybrid heterostructured nanoparticles.
authors.affiliation: Nanoparticles by Design Unit, Okinawa Institute of Science and Technology (OIST) Graduate University, 1919-1 Onna-Son, Okinawa, 904-0495, Japan.
authors.forename: Cathal
authors.initials: C
authors.lastname: Cassidy
authors.forename: Vidyadhar
authors.initials: V
authors.lastname: Singh
authors.forename: Panagiotis
authors.initials: P
authors.lastname: Grammatikopoulos
authors.forename: Flyura
authors.initials: F
authors.lastname: Djurabekova
authors.forename: Kai
authors.initials: K
authors.lastname: Nordlund
authors.forename: Mukhles
authors.initials: M
authors.lastname: Sowwan