DFT study of Rh-decorated pristine, B-doped and vacancy defected graphene for hydrogen adsorption-Reference-Cited by-同舟云学术

DFT study of Rh-decorated pristine, B-doped and vacancy defected graphene for hydrogen adsorption

Published:2016 Issue:87 Volume:6 Page:83926-83941
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ambrusi Rubén E.¹²³⁴,Luna C. Romina¹²³⁴,Juan Alfredo¹²³⁴,Pronsato María E.¹²³⁴

Affiliation:

1. Departamento de Física

2. Universidad Nacional del Sur & IFISUR (UNS-CONICET)

3. 8000 Bahía Blanca

4. Argentina

Abstract

Rh adatom stability on graphene, with and without defects has been investigated by density functional theory (DFT). The feasibility to achieve uniform dispersion for the metallic atom and the hydrogen storage capacity for each system were evaluated.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA16604K

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