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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2284-2
Abstract: Due to the toxicity and resistance of the anticancer drugs, various methods were employed to improve their efficacy in cancer treatment. Studies illustrated that these drugs could bind to the boron nitride nanotubes (BNNTs) surface…
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Keywords:
drug delivery;
boron nitride;
drug;
anticancer drugs ... See more keywords
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Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3750-4
Abstract: Aluminum nitride nanotubes (AlNNTs) doped by the excess electron, e@AlNNT and M@N-AlNNT (M = Li, Na, K), have been designed and their geometrical, electronic, and nonlinear optical (NLO) properties have been explored theoretically. The results showed that…
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Keywords:
aluminum nitride;
excess electron;
doped excess;
nitride nanotubes ... See more keywords
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Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4235-9
Abstract: Density functional theory calculations were carried out to analyze the performance of single-walled boron nitride nanotubes (BNNT) doped with Ni, Pd, and Pt as a sensor of CO2 and NH3. Binding energies, equilibrium distances, charge…
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Keywords:
adsorption;
boron nitride;
adsorption carbon;
carbon dioxide ... See more keywords
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Published in 2020 at "Journal of Inorganic and Organometallic Polymers and Materials"
DOI: 10.1007/s10904-020-01677-5
Abstract: The present first principles study entails the adsorption behavior of N, Nʹ, Nʺ-triethylenephosphoramide (TEPA) drug over the pristine, Si- and Al-doped (5, 5) armchair single-wall carbon and boron-nitride nanotubes (SWCNTs and SWBNNTs). Density functional theory…
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Keywords:
adsorption;
pristine doped;
carbon boron;
boron nitride ... See more keywords
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Published in 2017 at "Structural Chemistry"
DOI: 10.1007/s11224-017-1034-8
Abstract: Adsorption of toxic hydrazine (N2H4) at the surface of pristine and Al-doped single-wall boron nitride nanotubes (BNNTs and Al-BNNTs) has been investigated using density functional theory (DFT). Single hydrazine molecule was allowed to interact with…
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Keywords:
nanotubes bnnts;
hydrazine n2h4;
hydrazine;
boron nitride ... See more keywords
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Published in 2020 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2020.125148
Abstract: Abstract Highly crystalline boron nitride nanotubes (BNNTs) having multi-walls (≤5 walls) and a small diameter (~7 nm) were synthesized using a triple DC thermal plasma reactor with hydrogen injection. Triple torch configuration not only generates larger…
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Keywords:
plasma;
hydrogen;
boron nitride;
nitride nanotubes ... See more keywords
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Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.01.066
Abstract: Abstract Ractopamine (RAC) is an important β-agonist. It improves the growth rate and reduces the fat for animals. It is also utilized as nutrient repartitioning agent. Nonetheless, it is not licensed in many countries and…
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Keywords:
ractopamine;
ionic liquid;
carbon nitride;
spectroscopy ... See more keywords
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Published in 2020 at "Radiation Physics and Chemistry"
DOI: 10.1016/j.radphyschem.2019.01.014
Abstract: Abstract We report polarization dependent, scanning transmission X-ray microscopy measurements of individual boron nitride nanotubes (BNNTs) and analyze them by means of first-principles calculations. X-ray absorption near-edge spectra of hexagonal boron-nitride (hBN) are calculated as…
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Keywords:
boron nitride;
nitride nanotubes;
polarization dependent;
polarization ... See more keywords
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Published in 2019 at "Results in Physics"
DOI: 10.1016/j.rinp.2019.102254
Abstract: Abstract Water reduction to hydrogen (H2) by solar light is a green and sustainable approach to solve the energy crisis. However, conventional semiconductors usually suffer from low light absorbance and high charge recombination rate, which…
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Keywords:
photocatalytic properties;
morphology photocatalytic;
nitride nanotubes;
effects morphology ... See more keywords
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Published in 2019 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.9b01713
Abstract: Boron nitride nanotubes (BNNTs) are highly interesting for structural, thermal, and biomedical applications but have, thus, far been limited due to a lack of high-yield methods to produce a purified material. In particular, previous attempts…
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Keywords:
high yield;
boron nitride;
yield;
nitride nanotubes ... See more keywords
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Published in 2017 at "ACS nano"
DOI: 10.1021/acsnano.7b02359
Abstract: With the current development of modern electronics toward miniaturization, high-degree integration and multifunctionalization, considerable heat is accumulated, which results in the thermal failure or even explosion of modern electronics. The thermal conductivity of materials has…
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Keywords:
boron nitride;
thermal conductivity;
conductivity;
nitride nanotubes ... See more keywords