دورية أكاديمية
Novel Solid-State Electrolyte Na 3 La 5 Cl 18 with High Stability and Fast Ionic Conduction
| العنوان: | Novel Solid-State Electrolyte Na 3 La 5 Cl 18 with High Stability and Fast Ionic Conduction |
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| المؤلفون: | Syed Jawad Hussain, Jiahui Liu, Peng-Hu Du, Muhammad Azhar Nazir, Qiang Sun, Puru Jena |
| سنة النشر: | 2024 |
| مصطلحات موضوعية: | Biophysics, Biochemistry, Microbiology, Molecular Biology, Biotechnology, Ecology, Inorganic Chemistry, Hematology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, wide electrochemical window, sup >+, sodium superionic conductor, recent experimental synthesis, molecular dynamics simulation, large band gap, findings clearly suggest, 41 – 3, 4 , 2 , 18 , 3 , state electrolyte na, potential cathode materials, 5 , 3 ms, small energy, resulting na |
| الوصف: | Motivated by the recent experimental synthesis of a LaCl 3 -based lithium superionic conductor [Yin, Y.-C.Nature 2023, 616, 77–83], we explore the potential of a LaCl 3 -based system for a sodium superionic conductor in this work. Using density functional theory combined with molecular dynamics simulation and a grand potential phase diagram analysis, we find that the resulting Na 3 La 5 Cl 18 exhibits high energetic stability with a small energy-above-hull of 18 meV per atom, a large band gap of 5.58 eV, a wide electrochemical window of 0.41–3.76 V from the cathodic to the anodic limit, and a high Na + conductivity of 1.3 mS/cm at 300 K. Furthermore, Na 3 La 5 Cl 18 shows high chemical interface stability with the reported high-potential cathode materials such as NaCoO 2 , NaCrO 2 , Na 2 FePO 4 F, Na 3 V 2 (PO 4 ) 3 , and Na 3 V 2 (PO 4 ) 2 F 3 . These findings clearly suggest that the LaCl 3 -based framework can be used as a building block not only for Li-ion but also for Na-ion batteries. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| العلاقة: | https://figshare.com/articles/journal_contribution/Novel_Solid-State_Electrolyte_Na_sub_3_sub_La_sub_5_sub_Cl_sub_18_sub_with_High_Stability_and_Fast_Ionic_Conduction/25343258Test |
| DOI: | 10.1021/acsami.4c00666.s001 |
| الإتاحة: | https://doi.org/10.1021/acsami.4c00666.s001Test https://figshare.com/articles/journal_contribution/Novel_Solid-State_Electrolyte_Na_sub_3_sub_La_sub_5_sub_Cl_sub_18_sub_with_High_Stability_and_Fast_Ionic_Conduction/25343258Test |
| حقوق: | CC BY-NC 4.0 |
| رقم الانضمام: | edsbas.CB745DD9 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/acsami.4c00666.s001 |
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