Theoretical study of the elasticity of ultra-thin finite silicon nanowires. I. Semiempirical model considerations

2012 ◽  
Vol 90 ◽  
pp. 88-91 ◽  
Author(s):  
Emmanuel N. Koukaras ◽  
Shanawer Niaz ◽  
Dimitrios A. Zdetsis ◽  
Aristides D. Zdetsis
Keyword(s):  
Silicon Nanowires ◽  
Theoretical Study ◽  
Semiempirical Model

Theoretical study of the chemical gap tuning in silicon nanowires

2007 ◽  
Vol 76 (3) ◽  
Author(s):  
B. Aradi ◽  
L. E. Ramos ◽  
P. Deák ◽  
Th. Köhler ◽  
F. Bechstedt ◽  
...  
Keyword(s):  
Silicon Nanowires ◽  
Theoretical Study

High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study

2007 ◽  
Author(s):  
E. N. Koukaras ◽  
A. D. Zdetsis ◽  
C. S. Garoufalis ◽  
Theodore E. Simos ◽  
George Maroulis
Keyword(s):  
Finite Length ◽  
Silicon Nanowires ◽  
High Stability ◽  
Theoretical Study ◽  
Real Space

scholarly journals Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires

ACS Nano ◽  
2010 ◽  
Vol 4 (5) ◽  
pp. 2784-2790 ◽  
Author(s):  
Pavel B. Sorokin ◽  
Alexander G. Kvashnin ◽  
Dmitry G. Kvashnin ◽  
Julia A. Filicheva ◽  
Pavel V. Avramov ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Silicon Nanowires ◽  
Atomic Structure ◽  
Theoretical Study

scholarly journals A Theoretical and Simulation Analysis of the Sensitivity of SiNWs-FET Sensors

Biosensors ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 121
Author(s):  
Yi Yang ◽  
Zicheng Lu ◽  
Duo Liu ◽  
Yuelin Wang ◽  
Shixing Chen ◽  
...  
Keyword(s):  
Cross Sections ◽  
Silicon Nanowires ◽  
Surface State ◽  
Surface Defects ◽  
Theoretical Study ◽  
Simulation Analysis ◽  
Volume Ratio ◽  
Chemical Vapor ◽  
Software Simulation ◽  
Effect Transistor

Theoretical study and software simulation on the sensitivity of silicon nanowires (SiNWs) field effect transistor (FET) sensors in terms of surface-to-volume ratio, depletion ratio, surface state and lattice quality are carried out. Generally, SiNWs-FET sensors with triangular cross-sections are more sensitive than sensors with circular or square cross-sections. Two main reasons are discussed in this article. Firstly, SiNWs-FET sensors with triangular cross-sections have the largest surface-to-volume ratio and depletion ratio which significantly enhance the sensors’ sensitivity. Secondly, the manufacturing processes of the electron beam lithography (EBL) and chemical vapor deposition (CVD) methods seriously affect the surface state and lattice quality, which eventually influence SiNWs-FET sensors’ sensitivity. In contrast, wet etching and thermal oxidation (WETO) create fewer surface defects and higher quality lattices. Furthermore, the software simulation confirms that SiNWs-FET sensors with triangular cross-sections have better sensitivity than the other two types of SiNWs-FET sensors under the same conditions, consistent with the theoretical analysis. The article fully proved that SiNWs-FET sensors fabricated by the WETO method produced the best sensitivity and it will be widely used in the future.

scholarly journals Theoretical Study of the Molecular Geometries, Electronic and Thermodynamic Properties of Chlorinated Dipyrido-(3,2-a:,-c)-Phenazine

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
L. O. Olasunkanmi ◽  
J. Ige ◽  
G. O. Ogunlusi
Keyword(s):  
Thermodynamic Properties ◽  
Gas Phase ◽  
Theoretical Study ◽  
The Other ◽  
Semiempirical Model ◽  
Average Value ◽  
Successive Addition ◽  
General Variation ◽  
Adjacent Position ◽  
Chlorine Substituent

Theoretical study of the molecular geometries, electronic and thermodynamic properties of dipyrido-(3,2-a:,-c)-phenazine (dppz) was carried out in the gas phase under standard conditions using PM6 Hamiltonian in semiempirical model. Effects of chlorine substituents on these properties were also investigated. The results showed that all the electronic and thermodynamic properties investigated were affected by the number and relative position of chlorine substituents. Variations in some properties are not significant for some isomeric congeners, having the same number of chlorine substituents, while a number of properties showed general variation with both the number and position of chlorine substituents. Successive addition of one chlorine atom after the other at adjacent position to the last chlorine substituent increases the total energy by 241 eV and decreases the LUMO-HOMO gap by an average value of 0.124 eV. Geometry and energy optimization show that all the molecules considered are planar.

Sign in / Sign up

Export Citation Format

Share Document