1. Anodic Potential and Conversion Chemistry of Anhydrous Iron (II) Oxalate in Na-Ion Batteries
- Author
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Vasilii Gromov, Atlas Noubir, Fatemeh Keshavarz, Ekaterina Laakso, Bernardo Barbiellini, and Arun Bansil
- Subjects
Na-ion battery ,humboldtine ,iron oxalate ,anode ,electrochemical potential ,conversion mechanism ,Physics ,QC1-999 - Abstract
Anhydrous ferrous (II) oxalate (AFO) outperforms its hydrated form when used as an anode material in Li-ion batteries (LIBs). With the increasing interest in Na-ion batteries (NIBs) in mind, we examine the potential of AFO as the anode in NIBs through first principles calculations involving both periodic and non-periodic structures. Our analysis based on periodic (non-periodic) modeling scheme shows that the AFO anode generates a low reaction potential of 1.22 V (1.45 V) in the NIBs, and 1.34 V (1.24 V) in the LIBs, which is much lower than the potential of NIBs with mixed oxalates. The conversion mechanism in the underlying electrochemical process involves the reduction of Fe2+ with the addition of Na or Li. Such conversion electrodes can achieve high capacities through the Fe2+ valence states of iron.
- Published
- 2023
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