Size-dependence of fullerene-like confinement in catalytic methanol cracking-Reference-Cited by-同舟云学术

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Size-dependence of fullerene-like confinement in catalytic methanol cracking

Published:2022 Issue:34 Volume:46 Page:16401-16408
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Wang Wannan¹,Ren Rui-Peng¹²^ORCID,Lv Yong-Kang¹²^ORCID

Affiliation:

1. Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China

2. Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering, Taiyuan 030024, Shanxi, China

Abstract

In this work, the cracking mechanism of CH3OH on fullerene-like surfaces of different sizes is investigated by DFT. The study shows that the activity of CH3OH cracking decreases with the increase of Cu@CnB8 size.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shanxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D2NJ03053E

Reference37 articles.

1. Catalysis in Carbon Nanotubes

2. Iron catalyst encapsulated in carbon nanotubes for CO hydrogenation to light olefins

3. Highly active and durable non-precious-metal catalysts encapsulated in carbon nanotubes for hydrogen evolution reaction

4. Metal free hydrogenation reaction on carbon doped boron nitride fullerene: A DFT study on the kinetic issue

5. B80 Fullerene: A Promising Metal-Free Photocatalyst for Efficient Conversion of CO2 to HCOOH

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