DOI: 10.1063/1.4733480. P-type doping of lithium peroxide with carbon sheets

P-type doping of lithium peroxide with carbon sheets

10.1063/1.4733480

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

The interaction of lithium peroxide (Li2O2) with carbon electrodes in Li-air batteries is studied with model systems of graphene-intercalated Li2O2, using density functional theory (DFT) methods. Although both the Li2O2 bulk and its stoichiometric surface structures (without single O atoms) are insulating, the incorporation of graphene sheets into the Li2O2 introduces hole states in the oxygen orbitals due to the electron transfer from the anti-bonding O2 orbitals to the graphene sheets. This indicates that carbon sheets not only provide conducting channels by themselves, but they also open new channels in Li2O2.

Bibliography

Zhao, Y., Ban, C., Kang, J., Santhanagopalan, S., Kim, G.-H., Wei, S.-H., & Dillon, A. C. (2012). P-type doping of lithium peroxide with carbon sheets. Applied Physics Letters, 101(2).

Authors 7

Yufeng Zhao (first)
Chunmei Ban (additional)
Joongoo Kang (additional)
Shriram Santhanagopalan (additional)
Gi-Heon Kim (additional)
Su-Huai Wei (additional)
Anne C. Dillon (additional)

References 29 Referenced 19

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Dates

Type	When
Created	13 years, 1 month ago (July 11, 2012, 6:55 p.m.)
Deposited	2 years, 2 months ago (June 23, 2023, 12:49 a.m.)
Indexed	3 weeks, 3 days ago (July 30, 2025, 6:59 a.m.)
Issued	13 years, 1 month ago (July 9, 2012)
Published	13 years, 1 month ago (July 9, 2012)
Published Online	13 years, 1 month ago (July 10, 2012)
Published Print	13 years, 1 month ago (July 9, 2012)

Funders 0

None

BibTeX

@article{Zhao_2012, title={P-type doping of lithium peroxide with carbon sheets}, volume={101}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4733480}, DOI={10.1063/1.4733480}, number={2}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Zhao, Yufeng and Ban, Chunmei and Kang, Joongoo and Santhanagopalan, Shriram and Kim, Gi-Heon and Wei, Su-Huai and Dillon, Anne C.}, year={2012}, month=jul }

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