C2 weakens the turnover frequency during the melting of FexCy: insights from reactive MD simulations
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d1nj05114h
Entities
People
- Jinjia Liu
- Kuan Lu
- Qing Peng
- Wei Chen
- Wen-ping Guo
- Xiao-Dong Wen
- XingChen Liu
- Yong Yang
- Yong-wang Li
- Yu-Fei Song
- Yubing Liu
Organizations
- Beijing University of Chemical Technology
- Center for Strategic Research
- Chinese Academy of Sciences
- King Fahd University of Petroleum and Minerals
- National Natural Science Foundation of China
- University of Chinese Academy of Sciences