Quantification of Interface Interaction between Fe and Fe<i><sub>x</sub></i>C<i><sub>y</sub></i> via ReaxFF-Reference-Cited by-同舟云学术

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Quantification of Interface Interaction between Fe and Fe_xC_y via ReaxFF

Published:2023-08-09 Issue:32 Volume:127 Page:15839-15851
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Lu Kuan¹²^ORCID,He Yurong³,Zhou Yuwei²,Guo Wen-Ping²,Yang Yong¹²^ORCID,Li Yong-Wang¹²,Wen Xiao-Dong¹²^ORCID

Affiliation:

1. National Key Laboratory of High Efficiency and Low Carbon Utilization of Coal, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, Shanxi 030001, P. R. China

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

3. State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering, College of Chemistry and Chemical Engineering, Ningxia University, Yinchuan 750021, P. R. China

Funder

Shanxi Province Science Foundation for Youths

National Key Research and Development Program of China

Institute of Coal Chemistry, Chinese Academy of Sciences

People's Government of Shanxi Province

National Science Fund for Distinguished Young Scholars

National Natural Science Foundation of China

Chinese Academy of Sciences

Ningxia Province

Synfuels China, Co. Ltd

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c03762

Reference28 articles.

1. CO Oxidation over Strained Pt(100) Surface: A DFT Study

2. Molecular dynamics study of strain-induced diffusivity of nitrogen in pure iron nanocrystalline

3. Visualizing H 2 O molecules reacting at TiO 2 active sites with transmission electron microscopy

4. Role of the substrate dynamics: Iron clusters deposited on an iron slab

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Atomic-level insight into the carburization process of iron-based catalysts: A ReaxFF molecular dynamics study;Journal of Catalysis;2024-10

2. Atomic-Level Insight into the Carburization Process of Iron-Based Catalysts: A Reaxff Molecular Dynamics Study;2024

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