Hydrogen boride nanotubes and their C, N, O decoration and doping derivatives as materials for hydrogen-containing gases storage and sensing: A SCC–DFTB study
Published 2021 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Hydrogen boride nanotubes and their C, N, O decoration and doping derivatives as materials for hydrogen-containing gases storage and sensing: A SCC–DFTB study
Authors
Keywords
SCC‒DFTB method, Hydrogen boride nanotube, H, 2, , NH, 3, , H, 2, O, or CH, 4, adsorption, Adsorption energy, Hydrogen storage
Journal
VACUUM
Volume 187, Issue -, Pages 110140
Publisher
Elsevier BV
Online
2021-02-12
DOI
10.1016/j.vacuum.2021.110140
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Density functional theory study on hydrogen storage capacity of yttrium decorated graphyne nanotube
- (2020) Yang Liu et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- A theoretical first principles computational investigation into the potential of aluminum-doped boron nitride nanotubes for hydrogen storage
- (2020) Mehdi Noura et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
- (2020) B. Hourahine et al. JOURNAL OF CHEMICAL PHYSICS
- Acid assisted synthesis of HB sheets through exfoliation of MgB2 bulk in organic media
- (2020) Reiya Kawamura et al. CHEMISTRY LETTERS
- DFT Study of HF and H2O Adsorption on Zn and Ga-Doped Single-Walled Carbon Nanotube
- (2020) Ahmed j. Hassan Russian Journal of Physical Chemistry A
- Nitrogen-decorated borophene: An empowering contestant for hydrogen storage
- (2020) Bhumi A. Baraiya et al. APPLIED SURFACE SCIENCE
- Molecular dynamics simulations for hydrogen adsorption in low energy collisions with carbon and boron-nitride nanotubes
- (2019) F. J. Domínguez-Gutiérrez et al. JOURNAL OF APPLIED PHYSICS
- Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study
- (2019) Valeria Verdinelli et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Effect of in-situ boron doping on hydrogen adsorption properties of carbon nanotubes
- (2019) Shrilekha V. Sawant et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Unveiling the Electric-Current-Limiting and Photodetection Effect in Two-Dimensional Hydrogenated Borophene
- (2019) Yipeng An et al. Physical Review Applied
- Physical adsorption of hydrogen molecules on single-walled carbon nanotubes and carbon-boron-nitrogen heteronanotubes: A comparative DFT study
- (2019) I.K. Petrushenko et al. VACUUM
- Hydrogenated Borophene Shows Catalytic Activity as Solid Acid
- (2019) Asahi Fujino et al. ACS Omega
- Photoinduced hydrogen release from hydrogen boride sheets
- (2019) Reiya Kawamura et al. Nature Communications
- Study of atomic arrangements and charge distribution on Si(0 0 1) surfaces with the adsorption of one Ge atom by DFTB calculations
- (2018) Lijun Wu et al. APPLIED SURFACE SCIENCE
- A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application
- (2018) Chanukorn Tabtimsai et al. APPLIED SURFACE SCIENCE
- Methane gas sensing behavior of lithium ion doped carbon nanotubes sensor
- (2018) Xiaoyu Chen et al. VACUUM
- First-principle study of ammonia molecules adsorption on boron nitride nanotubes in presence and absence of static electric field and ion field
- (2018) Mahdi Rakhshi et al. VACUUM
- Hydrogen adsorption of Ti-decorated boron nitride nanotube: a density functional based tight binding molecular dynamics study
- (2018) Michael Rivera Mananghaya et al. ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
- Computational Analysis of topological indices of two Boron Nanotubes
- (2018) Young Chel Kwun et al. Scientific Reports
- Computing Metric Dimension and Metric Basis of 2D Lattice of Alpha-Boron Nanotubes
- (2018) Zafar Hussain et al. Symmetry-Basel
- Tunable Fermi level of graphene modified by azobenzene molecules
- (2018) Jiaojiao Yu et al. APPLIED SURFACE SCIENCE
- Hydrogen storage of dual-Ti-doped single-walled carbon nanotubes
- (2018) Ling Yang et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- High intrinsic catalytic activity of boron nanotubes for hydrogen evolution reaction: an ab initio study
- (2018) Aijian Huang et al. Materials Research Express
- Metal–Semiconductor Transition of Single-Wall Armchair Boron Nanotubes Induced by Atomic Depression
- (2017) Xinyue Dai et al. Journal of Physical Chemistry C
- Prediction of Single-Wall Boron Nanotube Structures and the Effects of Hydrogenation
- (2017) Fengping Li et al. Journal of Physical Chemistry C
- Formation and Characterization of Hydrogen Boride Sheets Derived from MgB2 by Cation Exchange
- (2017) Hiroaki Nishino et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Probing hydrogen adsorption behaviors of Ti- and Ni-decorated carbon nanotube by density functional theory
- (2017) Feng Mei et al. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
- Theoretical study of hydrogen adsorption in Ti-decorated capped carbon nanotube
- (2017) Shanawer Niaz et al. MOLECULAR PHYSICS
- Adsorption of H 2 on Ga 24 N 24 cluster; A density functional theory investigation
- (2017) M. Aarabi et al. VACUUM
- A Density Functional Theory Study of New Boron Nanotubes
- (2017) Zhao-Hua Chen et al. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
- Toward understanding the adsorption mechanism of large size organic corrosion inhibitors on an Fe(110) surface using the DFTB method
- (2017) Lei Guo et al. RSC Advances
- Two-Dimensional Boron Hydride Sheets: High Stability, Massless Dirac Fermions, and Excellent Mechanical Properties
- (2016) Yalong Jiao et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Hydrogen adsorption in metal-decorated silicon carbide nanotubes
- (2016) Ram Sevak Singh et al. CHEMICAL PHYSICS LETTERS
- Experimental investigation of hydrogen adsorption in doped silicon-carbide nanotubes
- (2016) Seyed Hamed Barghi et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- A novel candidate for hydrogen storage: Ca-decorated zigzag C3N nanotube
- (2016) Farzad Molani et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals
- (2016) Michael Mananghaya et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Yttrium dispersion on capped carbon nanotube: Promising materials for hydrogen storage applications
- (2016) ZiYa Tian et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Curvature-dependent adsorption of water inside and outside armchair carbon nanotubes
- (2016) Shulai Lei et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hydrogen adsorption on Pt-decorated closed-end armchair (3,3), (4,4) and (5,5) single-walled carbon nanotubes
- (2016) Charinee Kaewkhonkaen et al. MOLECULAR PHYSICS
- A new force field for the adsorption of H2, O2, N2, CO, H2O, and H2S gases on alkali doped carbon nanotubes
- (2016) Mahdiyeh Bamdad et al. MOLECULAR PHYSICS
- Coordination of nickel atoms with Al12X12 (X = N, P) nanocages enhances H2 adsorption: A surface study by DFT
- (2016) Ali Shokuhi Rad et al. VACUUM
- DFT investigation of hydrogen adsorption on the C3N nanotube
- (2016) Majid Eslami et al. VACUUM
- Hydrogen adsorption on sulphur-doped SiC nanotubes
- (2016) Ram Sevak Singh Materials Research Express
- Ab initio investigation of the adsorption of atomic and molecular hydrogen on AlN nanotubes
- (2015) Anlong Kuang et al. APPLIED SURFACE SCIENCE
- Magnesium Hydride Doped on Single-Walled Carbon Nanotubes for Hydrogen Adsorption
- (2014) R. Kodi Pandyan et al. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
- Al-decorated carbon nanotube as the molecular hydrogen storage medium
- (2014) S. Seenithurai et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Density Functional Study of Hydrogen Adsorption on Alkali Metal Doped Carbon Nanotube
- (2014) S. Zeynali et al. Journal of Computational and Theoretical Nanoscience
- Theoretical Study of Hydrogen Adsorption on Ru-Decorated (8,0) Single-Walled Carbon Nanotube
- (2014) Valeria Verdinelli et al. Journal of Physical Chemistry C
- Hydrogen adsorption on SiC nanotube under transverse electric field
- (2014) Ehsan Masumian et al. PHYSICS LETTERS A
- The hydrogen adsorption on Zr-decorated LiB (001): A DFT study
- (2014) Weibin Zhang et al. VACUUM
- First-principles versus semi-empirical modeling of global and local electronic transport properties of graphene nanopore-based sensors for DNA sequencing
- (2014) Po-Hao Chang et al. Journal of Computational Electronics
- Two-Dimensional Boron Monolayer Sheets
- (2012) Xiaojun Wu et al. ACS Nano
- Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane
- (2012) Zabiollah Mahdavifar et al. APPLIED SURFACE SCIENCE
- Study on the electronic structure and hydrogen adsorption by transition metal decorated single wall carbon nanotubes
- (2012) P Modak et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Graphene-like BN allotropes: Structural and electronic properties from DFTB calculations
- (2011) A.N. Enyashin et al. CHEMICAL PHYSICS LETTERS
- Ammonia Adsorption on SiC Nanotubes: A Density Functional Theory Investigation
- (2011) M. D. Ganji et al. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Hydrogen Adsorption on Rh, Ni, and Pd Functionalized Single-Walled Boron Nitride Nanotubes
- (2011) L. P. Zhang et al. Journal of Physical Chemistry C
- Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes
- (2010) I. López-Corral et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Computational Aspects of Carbon and Boron Nanotubes
- (2010) Paul Manuel MOLECULES
- A computational study of water adsorption on boron nitride nanotube
- (2010) Javad Beheshtian et al. STRUCTURAL CHEMISTRY
- On the reticular construction concept of covalent organic frameworks
- (2010) Binit Lukose et al. Beilstein Journal of Nanotechnology
- Ideal Polyhedral Model for Boron Nanotubes with Distinct Bond Lengths
- (2009) Richard K. F. Lee et al. Journal of Physical Chemistry C
- Methane adsorption inside and outside pristine and N-doped single wall carbon nanotubes
- (2008) Pablo A. Denis CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search