Redox, Magnetic, and Structural Properties of α-NaMnO2 Cathode Material Analyzed by Fitting-Free DFT+U Calculations, Parameterized by the Linear Response Approach
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DOI: 10.1021/acs.jpcc.0c09344
Abstract: Evaluation of electrochemical properties of cathodes of alkali-ion batteries in good agreement with experimental measurements, while avoiding empirical fitting is a highly desirable goal in materia... read more here.
Keywords: cathode material; namno2 cathode; structural properties; magnetic structural ... See more keywords