Biomedical subjects

Jaeil Bai

Publications and source records attributed to Jaeil Bai.

4 recordsLinked to original sources

PubMed2006

Multiwalled ice helixes and ice nanotubes.

We report six phases of high-density nano-ice predicted to form within carbon nanotubes (CNTs) at high pressure. High-density nano-ice self-assembled within smaller-diameter CNT (17,0) exhibits a double-walled helical structure where the outer wall consists of four double-stranded helixes, which resemble a DNA double helix, and the inner wall is a quadruple-stranded helix. Four other double-walled nano-ices, self-assembled respectively in two larger-diameter CNTs (20,0 and 22,0), display tubular structure. Within CNT (24,0), the confined water can freeze spontaneously into a triple-walled helical nano-ice where the outer wall is an 18-stranded helix and the middle and inner walls are hextuple-stranded helixes.

Computer Simulation↗

PubMed2006

Structural evolution of anionic silicon clusters SiN (20 <or= N <or= 45).

Results of a combined photoelectron spectroscopy and first-principles density-functional study of SiN- clusters in the size range 20 or= 20. For 28 <or= N <or= 45, almost all low-lying near-spherical clusters SiN- adopt "stuffed-cage"-like structures where the cages are homologous to carbon fullerenes in the sense that they are composed of only five- and six-membered rings. However the arrangement of the "stuffing" atoms is not yet diamondlike.

Journal Article↗

PubMed2004

Metallic single-walled silicon nanotubes.

Atomistic computer-simulation evidences are presented for the possible existence of one-dimensional silicon nanostructures: the square, pentagonal, and hexagonal single-walled silicon nanotubes (SWSNTs). The local geometric structure of the SWSNTs differs from the local tetrahedral structure of cubic diamond silicon, although the coordination number of atoms of the SWSNTs is still fourfold. Ab initio calculations show that the SWSNTs are locally stable in vacuum and have zero band gap, suggesting that the SWSNTs are possibly metals rather than wide-gap semiconductors.

Journal Article↗

PubMed2003

Possible lowest-energy geometry of silicon clusters Si21 and Si25.

Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger-Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25.

Journal Article↗