Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

Jens Strabo Hummelshøj; Jakob Blomquist; Soumendu Datta; Tejs Vegge; Jan Rossmeisl; Kristian Sommer Thygesen; A. C. Luntz; Karsten Wedel Jacobsen; Jens Kehlet Nørskov

doi:10.1063/1.3298994

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

Jens Strabo Hummelshøj, Jakob Blomquist, Soumendu Datta, Tejs Vegge, Jan Rossmeisl, Kristian Sommer Thygesen, A. C. Luntz, Karsten Wedel Jacobsen, Jens Kehlet Nørskov

Research output: Contribution to journal › Journal article › Research › peer-review

631 Downloads (Pure)

Abstract

We discuss the electrochemical reactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li2O2 electrode and show that in the presence of Li vacancies Li2O2 becomes a conductor.

Original language	English
Journal	Journal of Chemical Physics
Volume	132
Issue number	7
Pages (from-to)	071101
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.3298994
Publication status	Published - 2010

Bibliographical note

Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Keywords

Batteries and carbon-free energy storage
Materials and energy storage

Access to Document

10.1063/1.3298994

DattaFinal published version, 660 KB

http://link.aip.org/link/?JCPSA6/132/071101/1

OpenUrl availability

Full text

Cite this

@article{e66c35cc287745f0afc245153947ecb9,

title = "Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery",

abstract = "We discuss the electrochemical reactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li2O2 electrode and show that in the presence of Li vacancies Li2O2 becomes a conductor.",

keywords = "Batteries and carbon-free energy storage, Materials and energy storage, Batterier og kulstoffri kemisk energilagring, Materialer og energilagring",

author = "Hummelsh{\o}j, {Jens Strabo} and Jakob Blomquist and Soumendu Datta and Tejs Vegge and Jan Rossmeisl and Thygesen, {Kristian Sommer} and Luntz, {A. C.} and Jacobsen, {Karsten Wedel} and N{\o}rskov, {Jens Kehlet}",

note = "Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.",

year = "2010",

doi = "10.1063/1.3298994",

language = "English",

volume = "132",

pages = "071101",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "7",

}

TY - JOUR

T1 - Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

AU - Hummelshøj, Jens Strabo

AU - Blomquist, Jakob

AU - Datta, Soumendu

AU - Vegge, Tejs

AU - Rossmeisl, Jan

AU - Thygesen, Kristian Sommer

AU - Luntz, A. C.

AU - Jacobsen, Karsten Wedel

AU - Nørskov, Jens Kehlet

N1 - Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

PY - 2010

Y1 - 2010

N2 - We discuss the electrochemical reactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li2O2 electrode and show that in the presence of Li vacancies Li2O2 becomes a conductor.

AB - We discuss the electrochemical reactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li2O2 electrode and show that in the presence of Li vacancies Li2O2 becomes a conductor.

KW - Batteries and carbon-free energy storage

KW - Materials and energy storage

KW - Batterier og kulstoffri kemisk energilagring

KW - Materialer og energilagring

U2 - 10.1063/1.3298994

DO - 10.1063/1.3298994

M3 - Journal article

C2 - 20170208

SN - 0021-9606

VL - 132

SP - 071101

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 7

ER -

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

Abstract

Bibliographical note

Keywords

Access to Document

OpenUrl availability

Fingerprint

Cite this