Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes

2018 ◽  
Vol 20 (26) ◽  
pp. 17599-17605 ◽  
Author(s):  
Yadong Zhang ◽  
Yuzhen Liu ◽  
Zhaoshun Meng ◽  
Cai Ning ◽  
Chuanyun Xiao ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Boron Nitride ◽  
Co Oxidation ◽  
Boron Nitride Nanotubes ◽  
Confinement Effect ◽  
Interior Surface

Because of the confinement effect, Ni embedded on the interior surface of BNNT exhibits a much higher catalytic activity for CO oxidation by comparing with that embedded in h-BN or on the outside surface of BNNT.

scholarly journals Enhanced Catalytic Activity of Boron Nitride Nanotubes by Encapsulation of Nickel Wire Toward O2 Activation and CO Oxidation: A Theoretical Study

2022 ◽  
Vol 3 ◽  
Author(s):  
Keke Mao ◽  
Haifeng Lv ◽  
Xiuling Li ◽  
Jiajia Cai
Keyword(s):  
Catalytic Activity ◽  
Boron Nitride ◽  
Co Oxidation ◽  
Theoretical Study ◽  
Boron Nitride Nanotubes ◽  
Nickel Wire ◽  
First Principles Calculations ◽  
Rate Limiting Step ◽  
Rate Limiting ◽  
Bn Nanotubes

Perfect boron nitride (BN) nanotubes are chemically inert, and hardly considered as catalysts. Nevertheless, metal wire encapsulated BN nanotubes show extraordinarily high chemical activity. We report nickel (Ni) nanowire encapsulated BN(8.0) and BN(9.0) nanotubes toward O2 activation and CO oxidization on the basis of first-principles calculations. Our results suggest that Ni wire encapsulated BN(8.0) and BN(9.0) nanotubes can easily adsorb and activate O2 molecules to form peroxo or superoxo species exothermically. Meanwhile, superoxo species are ready to react with CO molecules forming OCOO intermediate state and finally yielding CO2 molecules. Meanwhile, the rate-limiting step barrier is only 0.637 eV, implying excellent performance for CO oxidation on Ni nanowire encapsulated BN nanotubes. Furthermore, encapsulation of nickel wire improves the catalytic activity of BN nanotubes by facilitating electron transfer from Ni wire to BN nanotubes, which facilitates the adsorption of highly electronegative O2 molecules and subsequent CO oxidation. This study provides a practical and efficient strategy for activating O2 on a metal encapsulated BN nanotube toward CO oxidation.

Can Si-embedded boron nitride nanotubes act as a favorable metal-free catalyst for CO oxidation by N2O?

RSC Advances ◽  
2015 ◽  
Vol 5 (121) ◽  
pp. 100290-100298 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Nasibeh Saeidi ◽  
Parisa Nematollahi
Keyword(s):  
Boron Nitride ◽  
Co Oxidation ◽  
Boron Nitride Nanotubes ◽  
Metal Free ◽  
Si Doped

N2O adsorption over Si-doped BNNT.

Molecular insights on the dynamic stability of peptide nucleic acid functionalized carbon and boron nitride nanotubes

2021 ◽  
Vol 23 (1) ◽  
pp. 219-228
Author(s):  
Nabanita Saikia ◽  
Mohamed Taha ◽  
Ravindra Pandey
Keyword(s):  
Nucleic Acid ◽  
Boron Nitride ◽  
Nucleic Acids ◽  
Dynamic Stability ◽  
Peptide Nucleic Acid ◽  
Rational Design ◽  
Peptide Nucleic Acids ◽  
Boron Nitride Nanotubes ◽  
Molecular Hybrids ◽  
Single Wall Nanotubes

The rational design of self-assembled nanobio-molecular hybrids of peptide nucleic acids with single-wall nanotubes rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial's surface.

Density Functional Theory Study of Antioxidant Adsorption onto Single- Wall Boron Nitride Nanotubes: Design of New Antioxidant Delivery Systems

2019 ◽  
Vol 22 (7) ◽  
pp. 470-482
Author(s):  
Samereh Ghazanfary ◽  
Fatemeh Oroojalian ◽  
Rezvan Yazdian-Robati ◽  
Mehdi Dadmehr ◽  
Amirhossein Sahebkar
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Vitamin C ◽  
Electric Field ◽  
External Electric Field ◽  
Lipoic Acid ◽  
Density Functional ◽  
Cell Interaction ◽  
Boron Nitride Nanotubes ◽  
Functional Theory

Background: Boron Nitride Nanotubes (BNNTs) have recently emerged as an interesting field of study, because they could be used for the realization of developed, integrated and compact nanostructures to be formulated. BNNTs with similar surface morphology, alternating B and N atoms completely substitute for C atoms in a graphitic-like sheet with nearly no alterations in atomic spacing, with uniformity in dispersion in the solution, and readily applicable in biomedical applications with no obvious toxicity. Also demonstrating a good cell interaction and cell targeting. Aim and Objective: With a purpose of increasing the field of BNNT for drug delivery, a theoretical investigation of the interaction of Melatonin, Vitamin C, Glutathione and lipoic acid antioxidants using (9, 0) zigzag BNNTs is shown using density functional theory. Methods: The geometries corresponding to Melatonin, Vitamin C, Glutathione and lipoic acid and BNNT with different lengths were individually optimized with the DMOL3 program at the LDA/ DNP (fine) level of theory. Results: In the presence of external electric field Melatonin, Vitamin C, Glutathione and lipoic acid could be absorbed considerably on BNNT with lengths 22 and 29 Å, as the adsorption energy values in the presence of external electric field are considerably increased. Conclusion: The external electric field is an appropriate technique for adsorbing and storing antioxidants on BNNTs. Moreover, it is believed that applying the external electric field may be a proper method for controlling release rate of drugs.

scholarly journals About the possibility of creating a high-performance sensor based on boron nitride nanotubes

2020 ◽  
Author(s):  
N. P. Boroznina ◽  
M. A. Vdovin ◽  
I. V. Zaporotskova ◽  
S. V. Boroznin ◽  
P. A. Zaporotskov
Keyword(s):  
Boron Nitride ◽  
High Performance ◽  
Boron Nitride Nanotubes

Boron Nitride Nanotubes for Heat Dissipation in Polycaprolactone Composites

2021 ◽  
Author(s):  
Thomas Pietri ◽  
Benjamin J. Wiley ◽  
Jean-Pierre Simonato
Keyword(s):  
Boron Nitride ◽  
Heat Dissipation ◽  
Boron Nitride Nanotubes

scholarly journals CO Oxidation Efficiency and Hysteresis Behavior over Mesoporous Pd/SiO2 Catalyst

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 131 ◽  
Author(s):  
Rola Mohammad Al Soubaihi ◽  
Khaled Mohammad Saoud ◽  
Myo Tay Zar Myint ◽  
Mats A. Göthelid ◽  
Joydeep Dutta
Keyword(s):  
Carbon Monoxide ◽  
Catalytic Activity ◽  
Co Oxidation ◽  
Active Sites ◽  
Bond Activation ◽  
Dissociative Adsorption ◽  
High Catalytic Activity ◽  
Good Catalytic Activity ◽  
Pretreatment Conditions ◽  
Oxidation Efficiency

Carbon monoxide (CO) oxidation is considered an important reaction in heterogeneous industrial catalysis and has been extensively studied. Pd supported on SiO2 aerogel catalysts exhibit good catalytic activity toward this reaction owing to their CO bond activation capability and thermal stability. Pd/SiO2 catalysts were investigated using carbon monoxide (CO) oxidation as a model reaction. The catalyst becomes active, and the conversion increases after the temperature reaches the ignition temperature (Tig). A normal hysteresis in carbon monoxide (CO) oxidation has been observed, where the catalysts continue to exhibit high catalytic activity (CO conversion remains at 100%) during the extinction even at temperatures lower than Tig. The catalyst was characterized using BET, TEM, XPS, TGA-DSC, and FTIR. In this work, the influence of pretreatment conditions and stability of the active sites on the catalytic activity and hysteresis is presented. The CO oxidation on the Pd/SiO2 catalyst has been attributed to the dissociative adsorption of molecular oxygen and the activation of the C-O bond, followed by diffusion of adsorbates at Tig to form CO2. Whereas, the hysteresis has been explained by the enhanced stability of the active site caused by thermal effects, pretreatment conditions, Pd-SiO2 support interaction, and PdO formation and decomposition.

scholarly journals Four-dimensional vibrational spectroscopy for nanoscale mapping of phonon dispersion in BN nanotubes

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Ruishi Qi ◽  
Ning Li ◽  
Jinlong Du ◽  
Ruochen Shi ◽  
Yang Huang ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Energy Loss ◽  
Phonon Dispersion ◽  
Hexagonal Boron Nitride ◽  
Real Space ◽  
Boron Nitride Nanotubes ◽  
Detection Sensitivity ◽  
Optical Modes ◽  
Optical And Mechanical Properties ◽  
Energy And Momentum

AbstractDirectly mapping local phonon dispersion in individual nanostructures can advance our understanding of their thermal, optical, and mechanical properties. However, this requires high detection sensitivity and combined spatial, energy and momentum resolutions, thus has been elusive. Here, we demonstrate a four-dimensional electron energy loss spectroscopy technique, and present position-dependent phonon dispersion measurements in individual boron nitride nanotubes. By scanning the electron beam in real space while monitoring both the energy loss and the momentum transfer, we are able to reveal position- and momentum-dependent lattice vibrations at nanometer scale. Our measurements show that the phonon dispersion of multi-walled nanotubes is locally close to hexagonal-boron nitride crystals. Interestingly, acoustic phonons are sensitive to defect scattering, while optical modes are insensitive to small voids. This work not only provides insights into vibrational properties of boron nitride nanotubes, but also demonstrates potential of the developed technique in nanoscale phonon dispersion measurements.

Sign in / Sign up

Export Citation Format

Share Document