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      Topochemical Fluoride Exchange Reaction with Anionic Electrons toward Fluoride-Ion Conduction in Layered Ba 2– x A x NF 1– x (A = Na, K)

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Projector augmented-wave method

              P. Blöchl (1994)
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                Author and article information

                Contributors
                Journal
                Chemistry of Materials
                Chem. Mater.
                American Chemical Society (ACS)
                0897-4756
                1520-5002
                June 11 2024
                May 16 2024
                June 11 2024
                : 36
                : 11
                : 5671-5677
                Affiliations
                [1 ]Graduate School of Human and Environmental Studies, Kyoto University, Yoshida-nihonmatsu-cho, Sakyo, Kyoto 606-8501, Japan
                [2 ]Institute of Materials Innovation, Institutes of Innovation for Future Society, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603, Japan
                [3 ]Institute of Materials Structure Science, High Energy Accelerator Research Organization, 203-1 Shirakata, Tokai, Ibaraki 319-1106, Japan
                Article
                10.1021/acs.chemmater.4c00716
                90007f77-9a2d-47a1-9caf-80f5419ec61d
                © 2024

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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