First-principles study on the adsorption of hydrogen cyanide on the metal-doped (8, 0) boron nitride nanotubes

Chemical Physics Letters ◽

10.1016/j.cplett.2019.06.059 ◽

2019 ◽

Vol 730 ◽

pp. 513-520 ◽

Author(s):

Baoli Zeng ◽

Wei Li ◽

Hao Chen ◽

Guoqing Li

Keyword(s):

Boron Nitride ◽

First Principles ◽

Hydrogen Cyanide ◽

Boron Nitride Nanotubes ◽

First Principles Study ◽

Adsorption Of Hydrogen ◽

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A first principles study on organic molecule encapsulated boron nitride nanotubes

The Journal of Chemical Physics ◽

10.1063/1.2901026 ◽

2008 ◽

Vol 128 (16) ◽

pp. 164701 ◽

Author(s):

Wei He ◽

Zhenyu Li ◽

Jinlong Yang ◽

J. G. Hou

Keyword(s):

Boron Nitride ◽

First Principles ◽

Organic Molecule ◽

Boron Nitride Nanotubes ◽

First Principles Study

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First principles study of electronic and structural properties of single walled zigzag boron nitride nanotubes doped with the elements of group IV

Solid State Communications ◽

10.1016/j.ssc.2017.08.020 ◽

2017 ◽

Vol 267 ◽

pp. 1-5 ◽

Author(s):

Ali Bahari ◽

Amir jalalinejad ◽

Mosahhar Bagheri ◽

Masoud Amiri

Keyword(s):

Boron Nitride ◽

Structural Properties ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Group Iv ◽

First Principles Study ◽

Electronic And Structural Properties

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First-Principles Study of Water Nanotubes Captured Inside Carbon/Boron Nitride Nanotubes

Langmuir ◽

10.1021/acs.langmuir.8b00856 ◽

2018 ◽

Vol 34 (37) ◽

pp. 11176-11187 ◽

Author(s):

Farzaneh Shayeganfar ◽

Javad Beheshtian ◽

Rouzbeh Shahsavari

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study

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First-principles study of SO2 molecule adsorption on the pristine and Mn-doped boron nitride nanotubes

Applied Surface Science ◽

10.1016/j.apsusc.2015.04.116 ◽

2015 ◽

Vol 347 ◽

pp. 485-490 ◽

Author(s):

Zun-Yi Deng ◽

Jian-Min Zhang ◽

Ke-Wei Xu

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study ◽

Molecule Adsorption ◽

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A first principles study of pristine and Al-doped boron nitride nanotubes interacting with platinum-based anticancer drugs

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2013.09.019 ◽

2014 ◽

Vol 57 ◽

pp. 47-55 ◽

Author(s):

Ehsan Shakerzadeh ◽

Siamak Noorizadeh

Keyword(s):

Boron Nitride ◽

Anticancer Drugs ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study

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Single-Walled boron nitride nanotubes interaction with nickel, titanium, palladium, and gold metal atoms- A first-principles study

Results in Materials ◽

10.1016/j.rinma.2019.100029 ◽

2019 ◽

Vol 2 ◽

pp. 100029 ◽

Author(s):

K.W. Kayang ◽

E. Nyankson ◽

J.K. Efavi ◽

E.K.K. Abavare ◽

G. Garu ◽

...

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Nickel Titanium ◽

First Principles Study ◽

Metal Atoms ◽

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Contrast in the Electronic and Magnetic Properties of Doped Carbon and Boron Nitride Nanotubes: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp072340d ◽

2008 ◽

Vol 112 (10) ◽

pp. 3464-3472 ◽

Author(s):

Mousumi Upadhyay Kahaly ◽

Umesh V. Waghmare

Keyword(s):

Magnetic Properties ◽

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Electronic And Magnetic Properties ◽

First Principles Study

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Effects of uniaxial strain on the band structure of boron nitride nanotubes: a first principles study

The European Physical Journal Applied Physics ◽

10.1051/epjap/2009037 ◽

2009 ◽

Vol 46 (2) ◽

pp. 20601 ◽

Author(s):

Z. G. Wang ◽

Z. Li ◽

D. M. Cheng

Keyword(s):

Boron Nitride ◽

Band Structure ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Uniaxial Strain ◽

First Principles Study

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1028 First-principles study on deformation induced electronic changes in boron nitride nanotubes

The Proceedings of The Computational Mechanics Conference ◽

10.1299/jsmecmd.2009.22.288 ◽

2009 ◽

Vol 2009.22 (0) ◽

pp. 288-289

Author(s):

Yusuke KINOSHITA ◽

Shin HASE ◽

Nobutada OHNO

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

First Principles Study

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First-principles study of substitutional carbon pair and Stone–Wales defect complexes in boron nitride nanotubes

Chemical Physics Letters ◽

10.1016/j.cplett.2011.12.001 ◽

2012 ◽

Vol 522 ◽

pp. 79-82 ◽

Author(s):

Gunn Kim ◽

Jinwoo Park ◽

Suklyun Hong

Keyword(s):

Boron Nitride ◽

First Principles ◽

Boron Nitride Nanotubes ◽

Defect Complexes ◽

First Principles Study ◽

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