Modeling and theoretical design of next-generation lithium metal batteries

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F19%3A10240037" target="_blank" >RIV/61989100:27740/19:10240037 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2405829718300916?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2405829718300916?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ensm.2018.05.007" target="_blank" >10.1016/j.ensm.2018.05.007</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Modeling and theoretical design of next-generation lithium metal batteries

Popis výsledku v původním jazyce

Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the implementation of LMBs in practice is still facing numerous challenges, such as low Coulombic efficiency, poor cycling performance, and complicated interfacial reactions. First-principles calculations have become a powerful technique in lithium battery research field, in terms of modeling the structures and properties of specific electrode materials, understanding the charge/discharge mechanisms at the atomic scale, and delivering rational design strategies for electrode materials as well as electrolytes. In this review, theoretical studies on sulfur cathodes, oxygen cathodes, lithium metal anodes, and solid-state electrolytes (SSEs) of LMBs are summarized. A brief introduction of simulation methods is offered at first. The next two chapters mainly focus on issues concerning cathodes of LMBs. Then the theoretical researches on the Li metal anode and SSEs are particularly reviewed. The current challenges and potential research directions in each field of LMBs are prospected from a theoretical viewpoint.

Název v anglickém jazyce

Modeling and theoretical design of next-generation lithium metal batteries

Popis výsledku anglicky

Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the implementation of LMBs in practice is still facing numerous challenges, such as low Coulombic efficiency, poor cycling performance, and complicated interfacial reactions. First-principles calculations have become a powerful technique in lithium battery research field, in terms of modeling the structures and properties of specific electrode materials, understanding the charge/discharge mechanisms at the atomic scale, and delivering rational design strategies for electrode materials as well as electrolytes. In this review, theoretical studies on sulfur cathodes, oxygen cathodes, lithium metal anodes, and solid-state electrolytes (SSEs) of LMBs are summarized. A brief introduction of simulation methods is offered at first. The next two chapters mainly focus on issues concerning cathodes of LMBs. Then the theoretical researches on the Li metal anode and SSEs are particularly reviewed. The current challenges and potential research directions in each field of LMBs are prospected from a theoretical viewpoint.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

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

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Energy Storage Materials

ISSN

2405-8297

e-ISSN

—

Svazek periodika

16

Číslo periodika v rámci svazku

-

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

25

Strana od-do

169-193

Kód UT WoS článku

000451571200017

EID výsledku v databázi Scopus

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