Molecular Dynamics Simulation of Silicon Dioxide Etching by Hydrogen Fluoride Using the Reactive Force Field

[Image: see text] In this study, we develop a reactive force field (ReaxFF) for a Si/O/H/F system to perform etching simulations of SiO(2) with an HF etchant. Quantum mechanical (QM) training sets from density functional theory calculations, which contain structures of reactant/product and energies...

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Detalles Bibliográficos
Autores principales: Kim, Dong Hyun, Kwak, Seung Jae, Jeong, Jae Hun, Yoo, Suyoung, Nam, Sang Ki, Kim, YongJoo, Lee, Won Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223409/
https://www.ncbi.nlm.nih.gov/pubmed/34179646
http://dx.doi.org/10.1021/acsomega.1c01824

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223409/
https://www.ncbi.nlm.nih.gov/pubmed/34179646
http://dx.doi.org/10.1021/acsomega.1c01824

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