Accurate and Efficient Prediction of Highly Disordered Bi<sub>2</sub>O<sub>3</sub> with Optimum Structure Pool: Combined Approach of the Special Quasirandom Structure Method and Structure Sampling-Reference-Cited by-同舟云学术

Accurate and Efficient Prediction of Highly Disordered Bi₂O₃ with Optimum Structure Pool: Combined Approach of the Special Quasirandom Structure Method and Structure Sampling

Published:2022-11-01 Issue:44 Volume:126 Page:18885-18892
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Jeong Incheol¹,Yeon Changho²,Lee Chan-Woo²,Lee Kang Taek¹³^ORCID

Affiliation:

1. Department of Mechanical Engineering, KAIST, Daejeon34141, Korea

2. Computational Science and Engineering Laboratory, KIER, Daejeon34129, Korea

3. KAIST Institute for the NanoCentury, Daejeon34141, Korea

Funder

National Research Foundation of Korea

Ministry of Trade, Industry and Energy

Korea Evaluation Institute of Industrial Technology

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.2c05757

Reference64 articles.

1. Cation-disordered rocksalt-type high-entropy cathodes for Li-ion batteries

2. Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes

3. An Overview of Cation-Disordered Lithium-Excess Rocksalt Cathodes

4. High‐Entropy Layered Oxide Cathodes for Sodium‐Ion Batteries

5. Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts

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