Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study

Author:

Okuno Yukihiro12,Ushirogata Keisuke12,Sodeyama Keitaro345,Shukri Ganes24,Tateyama Yoshitaka234ORCID

Affiliation:

1. Research and Development Management Headquarters, FUJIFILM Corporation, 210 Nakanuma, Minamiashigara, Kanagawa 250-0193, Japan

2. Center for Green Research on Energy and Environmental Materials (GREEN) and International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

3. Center for Materials Research Information Integration (cMI2), Research and Services Division of Materials Data and Integrated System (MaDIS), NIMS, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan

4. Elements Strategy Initiative for Catalysts & Batteries, Kyoto University, 1-30 Goryo-Ohara, Nishikyo-ku, Kyoto 615-8245, Japan

5. PRESTO, Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi, Saitama 333-0012, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

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