Unique Double-Interstitialcy Mechanism and Interfacial Storage Mechanism in the Graphene/Metal Oxide as the Anode for Sodium-Ion Batteries

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F19%3A10242319" target="_blank" >RIV/61989100:27640/19:10242319 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/19:10242319

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.nanolett.9b00544" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.nanolett.9b00544</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.nanolett.9b00544" target="_blank" >10.1021/acs.nanolett.9b00544</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Unique Double-Interstitialcy Mechanism and Interfacial Storage Mechanism in the Graphene/Metal Oxide as the Anode for Sodium-Ion Batteries

Popis výsledku v původním jazyce

Graphene/metal oxides (G/MO) composite materials have attracted much attention as the anode of sodium ion batteries (SIBs), because of the high theoretical capacity. However, most metal oxides operate based on the conversion mechanism and the alloying mechanism has changed to Na2O after the first cycle. The influence of G/Na2O (G/N) on the subsequent sodiation process has never been clearly elucidated. In this work, we report a systematic investigation on the G/N interface from both aspects of theoretical simulation and experiment characterization. By applied first-principles simulations, we find that the sluggish kinetics in the G/MO materials is mainly caused by the high diffusion barrier (0.51 eV) inside the Na2O bulk, while the G/N interface shows a much faster transport kinetics (0.25 eV) via unique double-interstitialcy mechanism. G/N interface possesses an interfacial storage of Na atom through the charge separation mechanism. The experimental evidence confirms that high interfacial ratio structure of G/N greatly improves the rate performance and endows G/MO materials the interfacial storage. Furthermore, the experimental investigation finds that the high interfacial ratio structure of G/N also benefits from the reversible reaction between SnO2 and Sn during cycling. Lastly, the effects of (N, O, S) doping in graphene systems at the G/N interface were also explored. This work provides a fundamental comprehension on the G/MO interface structure during the sodiation process, which is helpful to design energy storage materials with high rate performance and large capacity.

Název v anglickém jazyce

Unique Double-Interstitialcy Mechanism and Interfacial Storage Mechanism in the Graphene/Metal Oxide as the Anode for Sodium-Ion Batteries

Popis výsledku anglicky

Graphene/metal oxides (G/MO) composite materials have attracted much attention as the anode of sodium ion batteries (SIBs), because of the high theoretical capacity. However, most metal oxides operate based on the conversion mechanism and the alloying mechanism has changed to Na2O after the first cycle. The influence of G/Na2O (G/N) on the subsequent sodiation process has never been clearly elucidated. In this work, we report a systematic investigation on the G/N interface from both aspects of theoretical simulation and experiment characterization. By applied first-principles simulations, we find that the sluggish kinetics in the G/MO materials is mainly caused by the high diffusion barrier (0.51 eV) inside the Na2O bulk, while the G/N interface shows a much faster transport kinetics (0.25 eV) via unique double-interstitialcy mechanism. G/N interface possesses an interfacial storage of Na atom through the charge separation mechanism. The experimental evidence confirms that high interfacial ratio structure of G/N greatly improves the rate performance and endows G/MO materials the interfacial storage. Furthermore, the experimental investigation finds that the high interfacial ratio structure of G/N also benefits from the reversible reaction between SnO2 and Sn during cycling. Lastly, the effects of (N, O, S) doping in graphene systems at the G/N interface were also explored. This work provides a fundamental comprehension on the G/MO interface structure during the sodiation process, which is helpful to design energy storage materials with high rate performance and large capacity.

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

Nano Letters

ISSN

1530-6984

e-ISSN

—

Svazek periodika

19

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

3122-3130

Kód UT WoS článku

000467781900045

EID výsledku v databázi Scopus

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