Lithium bisulfate paper published in Phys. Chem. Chem. Phys.

7 Sep 2022

Pawan’s paper on evaluating possible anionic redox in lithium bisulfate cathodes was published today in Physical Chemistry Chemical Physics (PCCP). The study used multiple theoretical probes to verify that oxygen within the sulfate polyanionic groups participate in redox activity as lithium (de)intercalates in Co- and Ni-based bisulfate compositions. In the case of Fe- and Mn-based bisulfates, the cation continues to be the center of redox activity, with no perceptible participation from oxygen atoms. The work was led by Prof. Sai Gautam Gopalakrishnan, in collaboration with Prof. Prabeer Barpanda, and with computational support from Prof. Mayank Shrivastava at Indian Institute of Science.

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