کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
11008851 1840431 2018 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles investigation of the monoclinic NaMnO2 cathode material for rechargeable Na-ion batteries
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
First-principles investigation of the monoclinic NaMnO2 cathode material for rechargeable Na-ion batteries
چکیده انگلیسی
Using first-principles calculations, we successfully investigate the electrochemical performance of the monoclinic NaMnO2 for the sodium ion batteries. NaMnO2 possesses a voltage window of 3.54-2.52 V and theoretical reversible capacity of 136 mAh g−1. Besides, we find that the metallicity of the monoclinic NaMnO2 gradually increases during Na extraction. Moreover, the computational Na migration energy barrier in the monoclinic NaMnO2 is 0.18 eV, ensuring ideal conductivity and reversible capacity. Although the Jahn-Teller distortion effects limit the enhancement of the reversible capacity of the monoclinic NaMnO2, it is still a right cathode material for the sodium ion batteries. The computational results are well in consistent with the experimental investigations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Applied Physics - Volume 18, Issue 11, November 2018, Pages 1431-1435
نویسندگان
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