Optimization of ReaxFF Reactive Force Field Parameters for Cu/Si/O Systems via Neural Network Inversion with Application to Copper Oxide Interaction with Silicon-Reference-Cited by-同舟云学术

Optimization of ReaxFF Reactive Force Field Parameters for Cu/Si/O Systems via Neural Network Inversion with Application to Copper Oxide Interaction with Silicon

Published:2023-10-10 Issue:41 Volume:127 Page:20445-20458
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Roshan Kamyar Akbari¹^ORCID,Talkhoncheh Mahdi Khajeh²,Sengul Mert Yigit³^ORCID,Miller David Jonathan¹,van Duin Adri C. T.²⁴^ORCID

Affiliation:

1. Department of Electrical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

2. Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

3. Roivant Discovery, New York City, New York 10036, United States

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

Funder

Division of Chemical, Bioengineering, Environmental, and Transport Systems

Army Research Laboratory

Division of Materials Research

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.3c03079

Reference76 articles.

1. Technologies for Cofabricating MEMS and Electronics

2. Wafer-Level Vacuum Sealing by Transfer Bonding of Silicon Caps for Small Footprint and Ultra-Thin MEMS Packages

3. Metal Impurities in Silicon- and Germanium-Based Technologies

4. Ultra-fast diffusion mechanism of the late 3d transition metal impurities in silicon

5. Impact of Metal Contamination in Silicon Solar Cells

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