Abstract
Abstract
MXene, the class of two-dimensional materials, has been found to be useful as potential electrode materials for electrochemical capacitors. Although experimental investigation on the electrochemical performances of a few MXenes have been carried out with exciting results, a complete understanding of their atomic scale behaviour is yet to be done. Using first-principles electronic structure methods, we perform a systematic investigation of the capacitances in pristine and functionalised MXenes
M
n
+
1
C
n
O
2
where M = Ti, V, Nb and Mo. We provide results on each of the three sources of the capacitance and analyse them in detail for a complete understanding of their behaviour. The interpretation of the experimental results, wherever available, in the light of our computations, provides useful insights.
Funder
Department of Science and Technology, India
Subject
Surfaces, Coatings and Films,Acoustics and Ultrasonics,Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Cited by
6 articles.
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