First-principles study of interaction of molecular hydrogen with Li-doped carbon nanotube peapod structures

Li Chen; Yiming Zhang; Nikhil Koratkar; Puru Jena; Saroj K. Nayak

doi:10.1103/physrevb.77.033405

First-principles study of interaction of molecular hydrogen with Li-doped carbon nanotube peapod structures

Physical Review B ◽

10.1103/physrevb.77.033405 ◽

2008 ◽

Vol 77 (3) ◽

Cited By ~ 34

Author(s):

Li Chen ◽

Yiming Zhang ◽

Nikhil Koratkar ◽

Puru Jena ◽

Saroj K. Nayak

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Molecular Hydrogen ◽

First Principles Study

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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 ◽

Cited By ~ 10

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 ◽

Cited By ~ 246

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 ◽

Cited By ~ 1

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 ◽

Cited By ~ 75

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 ◽

Cited By ~ 3

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

Nanoscale ◽

10.1039/c5nr07188g ◽

2016 ◽

Vol 8 (4) ◽

pp. 2343-2349 ◽

Cited By ~ 8

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 ◽

Cited By ~ 11

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 ◽

Cited By ~ 20

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 ◽

Cited By ~ 23

Author(s):

Tiezhu Meng ◽

Chong-Yu Wang ◽

Shan-Ying Wang

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

First Principles Study

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First-principles study of molecular hydrogen dissociation on doped Al12X (X = B, Al, C, Si, P, Mg, and Ca) clusters

Journal of Computational Chemistry ◽

10.1002/jcc.21239 ◽

2009 ◽

Vol 30 (15) ◽

pp. 2509-2514 ◽

Cited By ~ 37

Author(s):

Lu Wang ◽

Jijun Zhao ◽

Zhen Zhou ◽

S. B. Zhang ◽

Zhongfang Chen

Keyword(s):

First Principles ◽

Molecular Hydrogen ◽

Hydrogen Dissociation ◽

First Principles Study

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