C2 weakens the turnover frequency during the melting of FexCy: insights from reactive MD simulations-Reference-Cited by-同舟云学术

C2 weakens the turnover frequency during the melting of FexCy: insights from reactive MD simulations

Published:2022 Issue:1 Volume:46 Page:282-293
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Liu Yubing¹²³,Lu Kuan²³^ORCID,Liu Xingchen²³^ORCID,Liu Jinjia²³⁴^ORCID,Guo Wen-Ping³,Chen Wei¹,Peng Qing⁵,Song Yu-Fei¹^ORCID,Yang Yong²³,Li Yong-Wang²³,Wen Xiao-Dong²³^ORCID

Affiliation:

1. State Key Laboratory of Chemical Resource Engineering, School of Chemistry, Beijing University of Chemical Technology, Beijing 100029, P. R. China

2. State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001, P. R. China

3. National Energy Center for Coal to Clean Fuels, Synfuels China Co., Ltd, Huairou District, Beijing 101400, P. R. China

4. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, P. R. China

5. Physics Department, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia

Abstract

The carbon accumulation in the form of C2 on the surface at high temperatures blocks the surface catalytic active sites, reducing the activity of melted FexCy nanoparticles.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Young Scientists Fund

Center for Strategic Research

Shanxi Provincial Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NJ/D1NJ05114H