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Two-dimensional phosphorus supercapacitors
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DOI：10.1016/j.est.2020.102062.png)
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Abstract
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In this paper we investigate the electrochemical properties of different phases of two-dimensional (2D) phosphorus using Joint Density Functional Theory (JDFT). The 2D counterpart of black, blue and green phosphorus are studied here as promising candidates for being electrodes of supercapacitor. Band structure, quantum capacitance, charge density and energy density of black, blue and green 2D phosphorous are obtained here by utilizing JDFT. Using JDFT, we examine how the different phases of 2D phosphorous charge up against applied voltage and the results are compared with each other. Our results show that the area-normalized capacitances of these 2D phosphorous structures are higher than that of graphene. Also the 2D phosphorous structures have higher mass-normalized capacitance than graphene at the higher voltages.
Keywords:
2D phosphorous
Blue phosphorous
Black Phosphorous
Density functional theory
Supercapacitor
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