2D-layered Sn/Ge anodes for lithium -ion batteries with high capacity and ultra -fast Li ion diffusivity

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F20%3A10245153" target="_blank" >RIV/61989100:27740/20:10245153 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2095495619309179?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2095495619309179?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jechem.2019.11.025" target="_blank" >10.1016/j.jechem.2019.11.025</a>

Jazyk výsledku

angličtina

Název v původním jazyce

2D-layered Sn/Ge anodes for lithium -ion batteries with high capacity and ultra -fast Li ion diffusivity

Popis výsledku v původním jazyce

In summary, we investigated the suitability of stanene/germanene as anode material for LIB. A series of 2D- layered Li-Sn/Ge intermetallic compounds were predicted by genetic structure evaluation algorithms and the charge-discharge process were studied based on these phases. And it is also found that 2D-layered stanene and germanene own higher lithium capacity than 3D tin and germanium. By further simulating Li ions transferred regularity and diffusion rate, the excellent Li ions diffusion property expressed that the ultra-fast Li diffusivity could be achieved, especially for 2D Li-Sn system. The diffu- sion barriers were found to be related to crystal, rhombohedral phases show harder Li ions diffusion with higher energy barriers than orthorhombic and monoclinic crystal systems. As anode materials, 2D stanene and germanene provide the better com- prehensive performance obviously than bulk tin and germanium. For stanene anode, the highest content of Li reaches to 0.857 in charge-discharge process (germanene anode reaches to 0.833), both layered tin and germanium show higher lithium capacity than bulk. and the fast diffusion pathway could reduce energy barrier to ~ 0.03 eV. In total, it is suitable for stanene/germanene as anodes of LIB with the outstanding properties, especially stanene. Our results not only reveal the phase transition regularity of stanene/germanene as anode of LIB during charge-discharge process, but also offer a theory foundation for the application of new 2D-layered materials in LIB.

Název v anglickém jazyce

2D-layered Sn/Ge anodes for lithium -ion batteries with high capacity and ultra -fast Li ion diffusivity

Popis výsledku anglicky

In summary, we investigated the suitability of stanene/germanene as anode material for LIB. A series of 2D- layered Li-Sn/Ge intermetallic compounds were predicted by genetic structure evaluation algorithms and the charge-discharge process were studied based on these phases. And it is also found that 2D-layered stanene and germanene own higher lithium capacity than 3D tin and germanium. By further simulating Li ions transferred regularity and diffusion rate, the excellent Li ions diffusion property expressed that the ultra-fast Li diffusivity could be achieved, especially for 2D Li-Sn system. The diffu- sion barriers were found to be related to crystal, rhombohedral phases show harder Li ions diffusion with higher energy barriers than orthorhombic and monoclinic crystal systems. As anode materials, 2D stanene and germanene provide the better com- prehensive performance obviously than bulk tin and germanium. For stanene anode, the highest content of Li reaches to 0.857 in charge-discharge process (germanene anode reaches to 0.833), both layered tin and germanium show higher lithium capacity than bulk. and the fast diffusion pathway could reduce energy barrier to ~ 0.03 eV. In total, it is suitable for stanene/germanene as anodes of LIB with the outstanding properties, especially stanene. Our results not only reveal the phase transition regularity of stanene/germanene as anode of LIB during charge-discharge process, but also offer a theory foundation for the application of new 2D-layered materials in LIB.

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)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Journal of Energy Chemistry

ISSN

2095-4956

e-ISSN

—

Svazek periodika

47

Číslo periodika v rámci svazku

August

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

160-165

Kód UT WoS článku

000540735400007

EID výsledku v databázi Scopus

2-s2.0-85076915101