silicon nanotubes
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2022 ◽  
pp. 207-230
Author(s):  
Nguyen T. Le ◽  
Jeffery L. Coffer
Keyword(s):  

2022 ◽  
Vol 2155 (1) ◽  
pp. 012003
Author(s):  
A P Mukhtarov ◽  
S K Mukhtarova ◽  
SA Usmanova

Abstract The specific properties of tubular and fullerenlike silicon nanoparticles depend on theirs electronic structure, which is directly related to the surface geometry. Using density functional approach, a novel dual nature of the surface structure of silicon nanotubes which depends on the type of nanotube have been revevaled. The rippled form of the surface has shown to be a favorable one for (n, n) type structure and the most stable form for (n, 0) Si NT is the nanotube with a smooth-walled graphene-like surface. The phenomenon is explained by the relative position of the non-hybridized p orbitals on the surface.


2021 ◽  
Author(s):  
Hsin-Yi Liu ◽  
Thi Dieu Hien Nguyen ◽  
Shih-Yang Lin ◽  
Hsien-Ching Chung ◽  
Wei-Bang Li ◽  
...  

2021 ◽  
Vol MA2021-02 (49) ◽  
pp. 1462-1462
Author(s):  
Klemens Rumpf ◽  
Petra Granitzer ◽  
Roberto Gonzalez-Rodriguez ◽  
Jeffery Coffer ◽  
Michael Reissner

2021 ◽  
Vol 133 ◽  
pp. 105962
Author(s):  
Chenglong Qin ◽  
Xiangyan Luo ◽  
Quan Xie ◽  
Tao Nie ◽  
Xiaotian Guo ◽  
...  

Nanomaterials ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 2475
Author(s):  
Hsin-Yi Liu ◽  
Ming-Fa Lin ◽  
Jhao-Ying Wu

In this work, the various electronic properties of silicon nanotubes (SiNTs) were investigated by the density functional theory. The cooperative and competitive relationships between the chiral angle, periodic boundary conditions, and multi-orbital hybridizations create unusual narrow gaps and quasi-flat bands in the ultra-small armchair and zigzag tubes, respectively. The features varied dramatically with tube radii. Armchair SiNTs (aSiNTs) have an indirect-to-direct band gap transition as their radius is increased to a particular value, while zigzag SiNTs (zSiNTs) present a metal-semiconductor transition. The projected density of states was used to elucidate the critical transitions, and the evolution of p and s orbital mixing states during the process are discussed in detail. The information presented here provides a better understanding of the essential properties of SiNTs.


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