Titanium-decorated boron nitride nanotubes for hydrogen storage: a multiscale theoretical investigation-Reference-Cited by-同舟云学术

Titanium-decorated boron nitride nanotubes for hydrogen storage: a multiscale theoretical investigation

Published:2019 Issue:34 Volume:11 Page:16052-16062
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Mananghaya Michael Rivera¹²³⁴^ORCID

Affiliation:

1. School of Science and Engineering

2. Ateneo de Manila University

3. 1108 Metro Manila

4. Philippines

Abstract

A multiscale computational technique from available quantum mechanical and Molecular Dynamics (MD) codes to user-subroutine computational fluid dynamics (CFD) files was applied to the H₂ adsorption of Ti-decorated (10,0) single-walled BN nanotubes (BNNTs) with B–N defects.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2019/NR/C9NR04578C

Reference50 articles.

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4. Hydrogen storage capacity of carbon nanotubes, filaments, and vapor-grown fibers

5. Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes

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