Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations

Shen, Yidi; Morozov, Sergey I.; Camacho-Mojica, Dulce C.; Ruoff, Rodney S.; An, Qi; Goddard, William A.

doi:10.1021/acsami.3c03314

Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations

Journal Article · 27 June 2023 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.3c03314· OSTI ID:2418837

Shen, Yidi ^[1]; ^[2]; ^[3]; ^[4]; ^[5]; ^[6]

Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, United States; OSTI
Department of Physics of Nanoscale Systems, South Ural State University, Chelyabinsk 454080, Russia; Materials and Process Simulation Center (MSC), California Institute of Technology, Pasadena, California 91125, United States
Center for Multidimensional Carbon Materials (CMCM), Institute for Basic Science (IBS), Ulsan 44919, Republic of Korea
Center for Multidimensional Carbon Materials (CMCM), Institute for Basic Science (IBS), Ulsan 44919, Republic of Korea; Department of Chemistry, Ulsan National University of Science and Technology, Ulsan 44919, Republic of Korea; Department of Materials Science, Ulsan National University of Science and Technology, Ulsan 44919, Republic of Korea; School of Energy and Chemical Engineering, Ulsan National University of Science and Technology, Ulsan 44919, Republic of Korea
Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, United States
Materials and Process Simulation Center (MSC), California Institute of Technology, Pasadena, California 91125, United States

Not provided.

Research Organization:: North Carolina A & T State Univ., Greensboro, NC (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: EE0009945

OSTI ID:: 2418837

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 27 Vol. 15; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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