作者: Hyung Mo Jeong , Kyung Min Choi , Tao Cheng , Dong Ki Lee , Renjia Zhou
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摘要: … The ReaxFF parameters for Ni–Li–O–C in SI Appendix, … The ReaxFF used in this work combines the Ni–C–H–O force … of Li–O finite molecules and Ni–O finite molecules. We started with …