Discharging Behavior of Hollandite α-MnO2 in a Hydrated Zinc-Ion Battery
Journal Article
·
· ACS Applied Materials and Interfaces
- State Univ. of New York (SUNY), Stony Brook, NY (United States)
- State Univ. of New York (SUNY), Stony Brook, NY (United States); State Univ. of New York (SUNY), Stony Brook, NY (United States). Inst. for Electrochemically Stored Energy
- State Univ. of New York (SUNY), Stony Brook, NY (United States). Inst. for Electrochemically Stored Energy; Brookhaven National Lab. (BNL), Upton, NY (United States)
- Department of Chemistry, Kennesaw State University, Kennesaw, Georgia 30144, United States
- State Univ. of New York (SUNY), Stony Brook, NY (United States); State Univ. of New York (SUNY), Stony Brook, NY (United States). Inst. for Electrochemically Stored Energy; Brookhaven National Lab. (BNL), Upton, NY (United States)
- State Univ. of New York (SUNY), Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Hollandite, α-MnO2, is of interest as a prospective cathode material for hydrated zinc ion batteries (ZIBs); however, the mechanistic understanding of the discharge process remains limited. Herein, a systematic study on the initial discharge of α-MnO2 cathode under hydrated environment was reported using density functional theory (DFT) in combination with complementary experiments, where the DFT predictions well described the experimental measurements on discharge voltages and manganese oxidation states. According to the DFT calculations, both protons (H+) and zinc ions (Zn2+) contribute to the discharging potentials of α-MnO2 observed experimentally, where the presence of water plays an essential role during the process. This study provides valuable insights into the mechanistic understanding of the discharge of α-MnO2 in hydrated ZIBs, emphasizing the crucial interplay among the H2O molecules, the intercalated Zn2+ or H+ ions, and the Mn4+ ions on the tunnel wall to enhance the stability of discharged states and, thus, the electrochemical performances in hydrated ZIBs.
- Research Organization:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Organization:
- National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0012673; SC0012704
- OSTI ID:
- 1839214
- Report Number(s):
- BNL--222592-2022-JAAM
- Journal Information:
- ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 50 Vol. 13; ISSN 1944-8244
- Publisher:
- American Chemical Society (ACS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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