Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10491850" target="_blank" >RIV/00216208:11320/24:10491850 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=SFumVNMPQh" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=SFumVNMPQh</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1038/s43246-024-00561-w" target="_blank" >10.1038/s43246-024-00561-w</a>

Result language

angličtina

Original language name

Positron unveiling high mobility graphene stack interfaces in Li-ion cathodes

Original language description

Carbon-based coatings in Li-ion battery cathodes improve electron conductivity and enable rapid charging. However, the mechanism is not well understood. Here, we address this question by using positrons as non-destructive probes to investigate nano-interfaces within cathodes. We calculate the positron annihilation lifetime in a graphene stack LiCoO2 heterojunction using an ab initio method with a non-local density approximation to accurately describe the electron-positron correlation. This ideal heterostructure represents the standard carbon-based coating performed on cathode nanoparticles to improve the conduction properties of the cathode. We characterize the interface between LiCoO2 and graphene as a p-type Schottky junction and find positron surface states. The intensity of the lifetime component for these positron surface states serves as a descriptor for positive ion ultra-fast mobility. Consequently, optimizing the carbon layer by enhancing this intensity and by analogizing Li-ion adatoms on graphene layers with positrons at surfaces can improve the design of fast-charging channels. Carbon layers in Li-ion battery cathodes are important for fast charging but the underlying mechanism is still not well understood. Here, ab initio calculations of the positron annihilation lifetime in graphene stack LiCoO2 heterojunction gives insights into ultra-fast ion mobility.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Communications Materials

ISSN

2662-4443

e-ISSN

2662-4443

Volume of the periodical

5

Issue of the periodical within the volume

1

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

138

UT code for WoS article

001280874800001

EID of the result in the Scopus database

2-s2.0-85200034157