In Situ Formed Ir 3 Li Nanoparticles as Active Cathode Material in Li–Oxygen Batteries

Halder, Avik; Ngo, Anh T.; Luo, Xiangyi; Wang, Hsien-Hau; Wen, J. G.; Abbasi, Pedram; Asadi, Mohammad; Zhang, Chengji; Miller, Dean; Zhang, Dongzhou; Lu, Jun; Redfern, Paul C.; Lau, Kah Chun; Amine, Rachid; Assary, Rajeev S.; Lee, Yun Jung; Salehi-Khojin, Amin; Vajda, Stefan; Amine, Khalil; Curtiss, Larry A.

doi:10.1021/acs.jpca.9b06875

Title: In Situ Formed Ir ₃ Li Nanoparticles as Active Cathode Material in Li–Oxygen Batteries

Journal Article · Mon Oct 28 00:00:00 EDT 2019 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.9b06875· OSTI ID:1616331

Halder, Avik ^[1]; Ngo, Anh T. ^[1]; Luo, Xiangyi ^[2]; Wang, Hsien-Hau ^[1];

^[3];

^[4]; Asadi, Mohammad ^[4]; Zhang, Chengji ^[5]; Miller, Dean ^[3]; Zhang, Dongzhou ^[6];

^[2]; Redfern, Paul C. ^[1];

^[7]; Amine, Rachid ^[8];

^[1];

^[9]; Salehi-Khojin, Amin ^[4];

^[10];

^[11];

^[1]

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States
Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States
Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439, United States
Department of Mechanical and Industrial, University of Illinois at Chicago, Chicago, Illinois 60607, United States
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States, Department of Civil and Materials Engineering, University of Illinois at Chicago, Chicago, Illinois 60607, United States
Partnership for Extreme Crystallography, Argonne National Laboratory, Argonne, Illinois 60439, United States
Department of Physics and Astronomy, California State University, Northridge, California 91330, United States
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States, Department of Chemical Engineering, University of Illinois at Chicago, Chicago, Illinois 60607, United States
Department of Engineering, Hanyang University, Seoul 133-791, Republic of Korea
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States, Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States, Department of Nanocatalysis, J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, Dolejškova 3, 18223 Prague 8, Czech Republic
Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, United States, Department of Material Science and Engineering, Stanford University, 450 Serra Mall, Stanford, California 94305, United States, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University (IAU), Dammam 34212, Saudi Arabia

Lithium-oxygen (Li-O₂) batteries are a promising class of rechargeable Li batteries with a potentially very high achievable energy density. One of the major challenges for Li-O₂ batteries is the high charge overpotential, which results in a low energy efficiency. In this work size-selected subnanometer Ir clusters are used to investigate cathode materials that can help control lithium superoxide formation during discharge, which has good electronic conductivity needed for low charge potentials. It is found that Ir particles can lead to lithium superoxide formation as the discharge product with Ir particle sizes of , similar to 1.5 nm giving the lowest charge potentials. During discharge these 1.5 nm Ir nanoparticles surprisingly evolve to larger ones while incorporating Li to form core-shell structures with Ir₃Li shells, which probably act as templates for growth of lithium superoxide during discharge. Various characterization techniques including DEMS, Raman, titration, and HRTEM are used to characterize the LiO₂ discharge product and the evolution of the Ir nanoparticles. Density functional calculations are used to provide insight into the mechanism for formation of the core-shell Ir Li₃ particles. The in situ formed Ir3Li core-shell nanoparticles discovered here provide a new direction for active cathode materials that can reduce charge overpotentials in Li-O₂ batteries.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1616331

Alternate ID(s):: OSTI ID: 1580737

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Vol. 123 Journal Issue: 46; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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