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Electron-Rich Graphite-Like Electrode: Stability vs. Voltage for Al Battery

Abstract

The development of efficient Al batteries is hindered by the major challenge of finding advanced electrode materials which can deliver higher voltage and storage capacities with ultrafast charge/discharge rates. Here, the first principle calculations is used to comparatively study the cathode applicability of 3D C3N bulk, 2D C3N bilayer as well as 1D C3N nanotube for Al batteries and to investigate the effect of dimensionality of cathode on the electrochemical properties of battery. We observe that all the three C3N phases behave in a similar way like the counterpart graphite by initiating the charge transfer from C3N system to intercalated AlCl4. However, improved diffusivity and storage capacity is obtained for 1D C3N nanotube and 2D C3N bilayer as compared to 3D C3N bulk phase for Al battery. The detailed discussion of stability vs. voltage for AlCl4 intercalated systems reveals the fact that the electron donating ability of C3N system compared to graphite results into stronger binding between AlCl4 and C3N system which results into lower net voltage in Al battery. In this regard, a 1D electron deficient system with adequate stability towards AlCl4 intercalation could be a superior choice to obtain high voltage in Al battery compared to graphite. We believe that our present study will be helpful in understanding the working mechanism of Al battery and developing high voltage Al battery electrodes with adequate stability.

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Publication details

The article was received on 24 Feb 2018, accepted on 10 May 2018 and first published on 11 May 2018


Article type: Paper
DOI: 10.1039/C8TA01820K
Citation: J. Mater. Chem. A, 2018, Accepted Manuscript
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    Electron-Rich Graphite-Like Electrode: Stability vs. Voltage for Al Battery

    P. BHAURIYAL, P. Garg, M. Patel and B. Pathak, J. Mater. Chem. A, 2018, Accepted Manuscript , DOI: 10.1039/C8TA01820K

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