Cargando…

Hydrogen Storage in Bilayer Hexagonal Boron Nitride: A First-Principles Study

[Image: see text] Using first-principles calculations, we report on the structural and electronic properties of bilayer hexagonal boron nitride (h-BN), incorporating hydrogen (H(2)) molecules inside the cavity for potential H(2)-storage applications. Decrease in binding energies and desorption tempe...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rai, Dibya Prakash, Chettri, Bhanu, Patra, Prasanta Kumar, Sattar, Shahid
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8603186/ https://www.ncbi.nlm.nih.gov/pubmed/34805667 http://dx.doi.org/10.1021/acsomega.1c03443

Ejemplares similares

Enhanced H(2) Storage Capacity of Bilayer Hexagonal Boron Nitride (h-BN) Incorporating van der Waals Interaction under an Applied External Electric Field
por: Chettri, Bhanu, et al.
Publicado: (2021)

Superior thermal conductivity in suspended bilayer hexagonal boron nitride
por: Wang, Chengru, et al.
Publicado: (2016)

Nonadiabatic superconductivity in a Li-intercalated hexagonal boron nitride bilayer
por: Szewczyk, Kamila A, et al.
Publicado: (2020)

Isolating hydrogen in hexagonal boron nitride bubbles by a plasma treatment
por: He, Li, et al.
Publicado: (2019)

Epitaxial Hexagonal Boron Nitride for Hydrogen Generation by Radiolysis of Interfacial Water
por: Binder, Johannes, et al.
Publicado: (2023)

The Temperature Dependence of the Hexagonal Boron Nitride Oxidation Resistance, Insights from First−Principle Computations
por: Antipina, Liubov Yu., et al.
Publicado: (2023)

Color Centers in Hexagonal Boron Nitride
por: Kim, Suk Hyun, et al.
Publicado: (2023)

Evolution of nanopores in hexagonal boron nitride
por: Dai, Chunhui, et al.
Publicado: (2023)

Theoretical Study on Carrier Mobility of Hydrogenated Graphene/Hexagonal Boron-Nitride Heterobilayer
por: Ye, Zhenqiang, et al.
Publicado: (2018)

Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride
por: Nash, David J., et al.
Publicado: (2016)

Quantification of hexagonal boron nitride impurities in boron nitride nanotubes via FTIR spectroscopy
por: Harrison, Haley, et al.
Publicado: (2019)

Design of photonic microcavities in hexagonal boron nitride
por: Kim, Sejeong, et al.
Publicado: (2018)

Soliton superlattices in twisted hexagonal boron nitride
por: Ni, G. X., et al.
Publicado: (2019)

Identification of an Oxygen Defect in Hexagonal Boron Nitride
por: Li, Song, et al.
Publicado: (2022)

Phonon-enhanced nonlinearities in hexagonal boron nitride
por: Ginsberg, Jared S., et al.
Publicado: (2023)

Engineering of Hydrogenated (6,0) Single-Walled Carbon Nanotube under Applied Uniaxial Stress: A DFT-1/2 and Molecular Dynamics Study
por: Singh, Yumnam Thakur, et al.
Publicado: (2023)

Origin of band gaps in graphene on hexagonal boron nitride
por: Jung, Jeil, et al.
Publicado: (2015)

Corrosion resistance of monolayer hexagonal boron nitride on copper
por: Mahvash, F., et al.
Publicado: (2017)

Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride
por: Gilbert, S. Matt, et al.
Publicado: (2017)

Photonic crystal cavities from hexagonal boron nitride
por: Kim, Sejeong, et al.
Publicado: (2018)

Adhesion of Epoxy Resin with Hexagonal Boron Nitride and Graphite
por: Tsuji, Yuta, et al.
Publicado: (2019)

Chemical and Bandgap Engineering in Monolayer Hexagonal Boron Nitride
por: Ba, Kun, et al.
Publicado: (2017)

One-dimensional hexagonal boron nitride conducting channel
por: Park, Hyo Ju, et al.
Publicado: (2020)

AB-stacked nanosheet-based hexagonal boron nitride
por: Lee, Jae-Kap, et al.
Publicado: (2021)

Nonlinear Tunable Vibrational Response in Hexagonal Boron Nitride
por: Iyikanat, Fadil, et al.
Publicado: (2021)

Atomically‐Precise Texturing of Hexagonal Boron Nitride Nanostripes
por: Ali, Khadiza, et al.
Publicado: (2021)

Towards n-type conductivity in hexagonal boron nitride
por: Lu, Shiqiang, et al.
Publicado: (2022)

Influence of Hexagonal Boron Nitride on Electronic Structure of Graphene
por: Liu, Jingran, et al.
Publicado: (2022)

Coherence protection of spin qubits in hexagonal boron nitride
por: Ramsay, Andrew J., et al.
Publicado: (2023)

DNA Translocation through Hydrophilic Nanopore in Hexagonal Boron Nitride
por: Zhou, Zhi, et al.
Publicado: (2013)

Modelling heat conduction in polycrystalline hexagonal boron-nitride films
por: Mortazavi, Bohayra, et al.
Publicado: (2015)

Vertical transport in graphene-hexagonal boron nitride heterostructure devices
por: Bruzzone, Samantha, et al.
Publicado: (2015)

Synthesis and Characterization of Hexagonal Boron Nitride as a Gate Dielectric
por: Jang, Sung Kyu, et al.
Publicado: (2016)

One-Step Synthesis of Hexagonal Boron Nitrides, Their Crystallinity and Biodegradation
por: Şen, Özlem, et al.
Publicado: (2018)

Moiré-Modulated Conductance of Hexagonal Boron Nitride Tunnel Barriers
por: Summerfield, Alex, et al.
Publicado: (2018)

Energetics and Electronic Structure of Triangular Hexagonal Boron Nitride Nanoflakes
por: Maruyama, Mina, et al.
Publicado: (2018)

Oriented graphene nanoribbons embedded in hexagonal boron nitride trenches
por: Chen, Lingxiu, et al.
Publicado: (2017)

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion
por: Zheng, Xu-Qian, et al.
Publicado: (2017)

Midgap radiative centers in carbon-enriched hexagonal boron nitride
por: Koperski, Maciej, et al.
Publicado: (2020)

An Atomistic-Based Nonlinear Plate Theory for Hexagonal Boron Nitride
por: Huang, Kun, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_hmfbvbhvvuo1us7pp2g6g5qn5f