Contact Electrification and Adhesion Between Carbon Nanotube and Graphene on Metal Surfaces: Insights from First-principles Study

Journal of Bionic Engineering ◽

10.1007/s42235-021-00119-3 ◽

2021 ◽

Author(s):

Jing Tao ◽

Linfeng Wang ◽

Jin Li ◽

Zhendong Dai

Keyword(s):

Carbon Nanotube ◽

First Principles ◽

Metal Surfaces ◽

First Principles Study ◽

Contact Electrification

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Structure sensitivity of ammonia electro-oxidation on transition metal surfaces: A first-principles study

Journal of Catalysis ◽

10.1016/j.jcat.2021.03.010 ◽

2021 ◽

Vol 397 ◽

pp. 137-147

Author(s):

Ahmed O. Elnabawy ◽

Jeffrey A. Herron ◽

Sara Karraker ◽

Manos Mavrikakis

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Structure Sensitivity ◽

First Principles Study ◽

Transition Metal Surfaces ◽

Electro Oxidation

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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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Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study

Journal of The Electrochemical Society ◽

10.1149/2.0161815jes ◽

2018 ◽

Vol 165 (15) ◽

pp. J3109-J3121 ◽

Author(s):

Ahmed O. Elnabawy ◽

Jeffrey A. Herron ◽

Jessica Scaranto ◽

Manos Mavrikakis

Keyword(s):

Transition Metal ◽

Formic Acid ◽

First Principles ◽

Metal Surfaces ◽

Structure Sensitivity ◽

First Principles Study ◽

Transition Metal Surfaces ◽

Formic Acid Electrooxidation

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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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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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Molecule-Adsorbed Topological Insulator and Metal Surfaces: A Comparative First-Principles Study

Chemistry of Materials ◽

10.1021/acs.chemmater.7b03176 ◽

2018 ◽

Vol 30 (6) ◽

pp. 1849-1855 ◽

Author(s):

Soumyajit Sarkar ◽

Jing Yang ◽

Liang Z. Tan ◽

Andrew M. Rappe ◽

Leeor Kronik

Keyword(s):

Topological Insulator ◽

First Principles ◽

Metal Surfaces ◽

First Principles Study

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