Soohaeng Yoo

Structures and relative stability of medium- and large-sized silicon clusters. VI. Fullerene cage motifs for low-lying clusters Si39, Si40, Si50, Si60, Si70, and Si80 (2008)

Yoo, Soohaeng, Shao, N., Zeng, Xiao Cheng

We performed a constrained search, combined with density-functional theory optimization, of low-energy geometric structures of silicon clusters Si39, Si40, Si50, Si60, Si70, and Si80. We used...

Structures and relative stability of medium-sized silicon clusters. V. Low-lying endohedral fullerenelike clusters Si31-Si40 and Si45 (2006)

Yoo, Soohaeng, Shao, N., Koehler, C., Fraunhaum, T., Zeng, Xiao Cheng

We have performed unconstrained search for low-lying structures of medium-sized silicon clusters Si31-Si40 and Si45, by means of the minimum-hopping global optimization method coupled with a...

Structures and relative stability of medium-sized silicon clusters. IV. Motif based low-lying clusters Si21-Si30 (2006)

Yoo, Soohaeng, Zeng, Xiao Cheng

Structures and relative stability of four families of low-lying silicon clusters in the size range of Sin(n=21-30) are studied, wherein two families of the clusters show prolate structures while the...

Structures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20 (2005)

Yoo, Soohaeng, Zeng, Xiao Cheng

It has been established from experiments that stable medium-sized ionic clusters Si15-Si20 are prolate in shape. Density-functional theories (DFTs) also predict that nearly all low-lying neutral...

Energy landscapes: Application to silicon nanoclusters and protein stabilities (2004)

Yoo, Soohaeng

Statistical thermodynamics provides the relations between thermodynamical information and microscopic information. Energy landscapes provide the information of macroscopic phenomena, i.e. phase...

Energy landscapes : application to silicon nanoclusters and protein stabilities / (2004)

Yoo, Soohaeng.

Thesis (Ph. D.)--University of Nebraska--Lincoln, 2004.

Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes

Kiran, Boggavarapu, Bulusu, Satya, Zhai, Hua-Jin, Yoo, Soohaeng, Zeng, Xiao Cheng, Wang, Lai-Sheng

Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer 3D structures beginning at 20 atoms. Using global optimization...

Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes

Kiran, Boggavarapu, Bulusu, Satya, Zhai, Hua-Jin, Yoo, Soohaeng, Zeng, Xiao Cheng, Wang, Lai-Sheng

Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer 3D structures beginning at 20 atoms. Using global optimization...