Ti-decorated C<sub>30</sub> as a high-capacity hydrogen storage material: insights from density functional theory-Reference-Cited by-同舟云学术

Ti-decorated C₃₀ as a high-capacity hydrogen storage material: insights from density functional theory

Published:2023 Issue:20 Volume:7 Page:5109-5119
ISSN:2398-4902
Container-title:Sustainable Energy & Fuels
language:en
Short-container-title:Sustainable Energy Fuels

Author:

Nair Heera T.¹,Kundu Ajit²^ORCID,Ray Pranoy³^ORCID,Jha Prafulla K.¹^ORCID,Chakraborty Brahmananda³⁴^ORCID

Affiliation:

1. Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat, 390002, India

2. Seismology Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India

3. High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India

4. Homi Bhabha National Institute, Mumbai, 400094, India

Abstract

Employing density functional theory, we explore the hydrogen storage proficiency of titanium-decorated fullerene C30, an allotrope of carbon that comprises pentagonal and hexagonal rings.

Funder

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Energy Engineering and Power Technology,Fuel Technology,Renewable Energy, Sustainability and the Environment

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SE/D3SE00845B

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