Lowering the C–H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations-Reference-Cited by-同舟云学术

Lowering the C–H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations

Published:2022 Issue:1 Volume:46 Page:70-74
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Bhati Meema¹²^ORCID,Dhumal Jignesh¹,Joshi Kavita¹²^ORCID

Affiliation:

1. Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Dr Homi Bhabha Road, Pashan, Pune – 411008, India

2. Academy of Scientific and Innovative Research (AcSIR), India

Abstract

Methane has long been in the world's spotlight as the simplest yet one of the most notorious hydrocarbons; here, we study the efficiency of single-atom catalysts (SACs) for methane activation using density functional theory (DFT).

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D1NJ04525C

Reference49 articles.

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