Abstract
The solidification of two-dimensional liquid silicon confined to a slit nanopore has been studied using molecular dynamics simulations. The results clearly show that the system undergoes an obvious transition from liquid to multilayer hexagonal film with the decrease of temperature, accompanied by dramatic change in potential energy, atomic volume, coordination number and lateral radial distribution function. During the cooling process, some hexagonal islands randomly appear in the liquid first, then grow up to grain nuclei, and finally connect together to form a complete polycrystalline film. Moreover, it is found that the quenching rate and slit size are of vital importance to the freezing structure of silicon film. The results also indicate that the slit nanopore induces the layering of liquid silicon, which further induces the slit size dependent solidification behavior of silicon film with different electrical properties.
Highlights
The solidification of two-dimensional liquid silicon confined to a slit nanopore has been studied using molecular dynamics simulations
Li et al.[14] reported a silicene field-effect transistor operating at room temperature, which opens up new opportunities for 2D silicon for various fundamental science studies and electronic applications
molecular dynamics (MD) simulations have been performed to study the cooling process of liquid silicon confined in slit nanopore
Summary
The solidification of two-dimensional liquid silicon confined to a slit nanopore has been studied using molecular dynamics simulations. An allotrope of carbon in the form of a two-dimensional (2D), one atom thick, hexagonal lattice, has always grabbed the worldwide attention ever since the experimental preparation in 20041, due to its fascinating properties and nearly infinite applications[2,3,4]. Morishita et al.[22,23] used molecular dynamics (MD) simulations to study the formation of nanowire, single- and double-layer silicon in slit pores and the stability is further confirmed by first principles MD calculations up to 300 K, which demonstrate the possibility of the synthesis of novel nanostructures by confinement in nanopores. We perform molecular dynamics (MD) simulations to study the liquid-solid transition of silicon confined in a slit nanopore and provide evidence for the formation of multilayer silicene-like polymorph. The effect of cooling rate and slit size has been considered
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
