Modeling and simulation of carbon nanotube amino-acid sensor: A first-principles study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113402 ◽

2021 ◽

pp. 113402

Author(s):

M. Shunaid Parvaiz ◽

Khurshed A. Shah ◽

H. Alrobei ◽

G.N. Dar ◽

Farooq A. Khanday ◽

...

Keyword(s):

Carbon Nanotube ◽

Modeling And Simulation ◽

First Principles ◽

First Principles Study ◽

Amino Acid Sensor

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First-principles study of the switching characteristics of the phenoxynaphthacenequinone-based optical molecular switch with carbon nanotube electrodes

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2008.09.008 ◽

2009 ◽

Vol 41 (3) ◽

pp. 474-478 ◽

Author(s):

P. Zhao ◽

C.F. Fang ◽

Y.M. Wang ◽

Y.X. Zhai ◽

D.S. Liu

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Molecular Switch ◽

First Principles Study ◽

Switching Characteristics

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First-Principles Study of Li-Intercalated Carbon Nanotube Ropes

Physical Review Letters ◽

10.1103/physrevlett.85.1706 ◽

2000 ◽

Vol 85 (8) ◽

pp. 1706-1709 ◽

Author(s):

Jijun Zhao ◽

Alper Buldum ◽

Jie Han ◽

Jian Ping Lu

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

First Principles Study

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First principles study of a heavily nitrogen-doped (10,0) carbon nanotube

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2018.06.003 ◽

2018 ◽

Vol 103 ◽

pp. 201-207 ◽

Author(s):

Mohsen Jamshidi ◽

Mostafa Razmara ◽

Banafsheh Nikfar ◽

Masoud Amiri

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study

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First-Principles Study of Carbon Nanotube Solid-State Packings

EPL (Europhysics Letters) ◽

10.1209/0295-5075/29/1/008 ◽

1995 ◽

Vol 29 (1) ◽

pp. 43-48 ◽

Author(s):

J.-C Charlier ◽

X Gonze ◽

J.-P Michenaud

Keyword(s):

Carbon Nanotube ◽

Solid State ◽

First Principles ◽

First Principles Study

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Energetics and electronic structure of a single copper atomic chain wrapped in a carbon nanotube: a first-principles study

Chinese Physics B ◽

10.1088/1674-1056/18/12/056 ◽

2009 ◽

Vol 18 (12) ◽

pp. 5468-5473 ◽

Author(s):

Zhang Jian-Min ◽

Du Xiu-Juan ◽

Wang Su-Fang ◽

Xu Ke-Wei

Keyword(s):

Electronic Structure ◽

Carbon Nanotube ◽

First Principles ◽

Atomic Chain ◽

First Principles Study

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The structural, electronic and optical properties of γ-glycine under pressure: a first principles study

RSC Advances ◽

10.1039/c8ra08547a ◽

2019 ◽

Vol 9 (7) ◽

pp. 3877-3883 ◽

Author(s):

Aaron Mei ◽

Xuan Luo

Keyword(s):

Optical Properties ◽

Band Gap ◽

First Principles ◽

Linear Optics ◽

Electronic And Optical Properties ◽

Non Linear Optics ◽

First Principles Study ◽

The crystallized amino acid γ-glycine is a large band gap insulator that shows promise in the fields of photonics and non-linear optics.

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Carbon nanobuds based on carbon nanotube caps: a first-principles study

Nanoscale ◽

10.1039/c5nr07188g ◽

2016 ◽

Vol 8 (4) ◽

pp. 2343-2349 ◽

Author(s):

Ji Il Choi ◽

Hyo Seok Kim ◽

Han Seul Kim ◽

Ga In Lee ◽

Jeung Ku Kang ◽

...

Keyword(s):

Carbon Nanotube ◽

Fermi Level ◽

First Principles ◽

First Principles Study

The formation of fullerene carbon nanobuds (CNBs) on carbon nanotube (CNT) caps is energetically more favorable than that on CNT sidewalls. Generally, CNBs based on CNT ends can induce resonant transmissions near the Fermi level.

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Application of single-walled carbon nanotube body to unique emitter: a first-principles study

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01324-0 ◽

2001 ◽

Vol 350 (5-6) ◽

pp. 386-392 ◽

Author(s):

Gang Zhou ◽

Yoshiyuki Kawazoe

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) – First principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2014.01.048 ◽

2014 ◽

Vol 39 (10) ◽

pp. 4973-4980 ◽

Author(s):

R. Lavanya ◽

V.J. Surya ◽

I. Lakshmi ◽

K. Iyakutti ◽

V. Vasu ◽

...

Keyword(s):

Carbon Nanotube ◽

Hydrogen Storage ◽

First Principles ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study

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First-principles study of contact between Ti surface and semiconducting carbon nanotube

Journal of Applied Physics ◽

10.1063/1.2748716 ◽

2007 ◽

Vol 102 (1) ◽

pp. 013709 ◽

Author(s):

Tiezhu Meng ◽

Chong-Yu Wang ◽

Shan-Ying Wang

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

First Principles Study

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