Development and Validation of a ReaxFF Reactive Force Field for Modeling Silicon–Carbon Composite Anode Materials in Lithium-Ion Batteries-Reference-Cited by-同舟云学术

Development and Validation of a ReaxFF Reactive Force Field for Modeling Silicon–Carbon Composite Anode Materials in Lithium-Ion Batteries

Published:2023-02-06 Issue:6 Volume:127 Page:2818-2834
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Olou’ou Guifo Stéphane B.¹²,Mueller Jonathan E.¹^ORCID,van Duin Diana³,Talkhoncheh Mahdi K.³,van Duin Adri C. T.³⁴^ORCID,Henriques David²,Markus Torsten²

Affiliation:

1. Volkswagen Group, Berliner Ring 2, D-38436 Wolfsburg, Germany

2. Institute for Materials Science and Engineering, Mannheim University of Applied Sciences, Paul-Wittsack-Straße 10, D-68153 Mannheim, Germany

3. RxFF Consulting LCC, 2398 Charleston Drive, State College, Pennsylvania 16801, United States

4. Department of Mechanical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

Funder

Volkswagen Aktiengesellschaft

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.2c07773

Reference117 articles.

1. Nanomaterials for electrochemical energy storage

2. Zur Kenntnis der Phase Li22Si5

3. Towards high energy density lithium battery anodes: silicon and lithium

4. Solutions for the problems of silicon–carbon anode materials for lithium-ion batteries

5. Silicon as a potential anode material for Li-ion batteries: where size, geometry and structure matter

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