A computational study of hydrogen detection by borophene-Reference-Cited by-同舟云学术

A computational study of hydrogen detection by borophene

Published:2017 Issue:22 Volume:5 Page:5426-5433
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Novotný Michal¹²³⁴⁵^ORCID,Domínguez-Gutiérrez Francisco Javier⁵⁶⁷⁸⁹^ORCID,Krstić Predrag⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. Institute for Advanced Computational Science

2. Stony Brook University

3. Stony Brook

4. USA

5. Department of Physical and Theoretical Chemistry

6. Faculty of Natural Sciences

7. Comenius University in Bratislava

8. 84215 Bratislava

9. Slovakia

Abstract

We present a quantum-classical molecular dynamics study of hydrogen irradiation of a single corrugated boron sheet in the incident energy range of 0.25–100 eV and report the resulting reflection, adsorption, and transmission probability, as well as quantum conductance in function of hydrogen coverage.

Funder

Consejo Nacional de Ciencia y Tecnología

Laboratory Directed Research and Development

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/TC/C7TC00976C

Reference61 articles.

1. Electric Field Effect in Atomically Thin Carbon Films

2. Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium