Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F25%3A00381795" target="_blank" >RIV/68407700:21220/25:00381795 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1039/D5SE00125K" target="_blank" >https://doi.org/10.1039/D5SE00125K</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/D5SE00125K" target="_blank" >10.1039/D5SE00125K</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT

Popis výsledku v původním jazyce

The development of innovative electrodes with outstanding high-rate cycling performance for the next generation of sulfur-based batteries has emerged as a key area of research. This study presents a straightforward approach for designing silicon/graphene nanoplates as an anode material using a one-step hydrothermal process. Additionally, to reduce the shuttle effect, the GNP/MnO2/S cathode is investigated. In this study, MnO2 particles are grown in situ on the surface of the GNP. The pre-lithiation Si/GNP anode and the MnO2/GNP/S and GNP/S cathodes are evaluated at a current density of 1000 mA g-1. The findings reveal an impressive capacity retention of 1048 mA h g-1 after 200 cycles, indicating remarkable cycling performance for the cell with the pre-lithiation Si/GNP anode and the MnO2/GNP/S cathode. The capacity retention observed in thicker electrodes highlights the synergistic effect of the effective chemical absorption of lithium polysulfides by MnO2/GNP/S when used as sulfur hosts. Additionally, DFT calculations suggest that MnO2 has a significant tendency to adhere to the surface of polysulfides, aligning well with our findings regarding cycle performance, rate performance, and discharge capacity. The novel electrode configuration introduced in this study provides a novel pathway for the large-scale production of high-performance pre-lithiation Si–S batteries.

Název v anglickém jazyce

Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT

Popis výsledku anglicky

The development of innovative electrodes with outstanding high-rate cycling performance for the next generation of sulfur-based batteries has emerged as a key area of research. This study presents a straightforward approach for designing silicon/graphene nanoplates as an anode material using a one-step hydrothermal process. Additionally, to reduce the shuttle effect, the GNP/MnO2/S cathode is investigated. In this study, MnO2 particles are grown in situ on the surface of the GNP. The pre-lithiation Si/GNP anode and the MnO2/GNP/S and GNP/S cathodes are evaluated at a current density of 1000 mA g-1. The findings reveal an impressive capacity retention of 1048 mA h g-1 after 200 cycles, indicating remarkable cycling performance for the cell with the pre-lithiation Si/GNP anode and the MnO2/GNP/S cathode. The capacity retention observed in thicker electrodes highlights the synergistic effect of the effective chemical absorption of lithium polysulfides by MnO2/GNP/S when used as sulfur hosts. Additionally, DFT calculations suggest that MnO2 has a significant tendency to adhere to the surface of polysulfides, aligning well with our findings regarding cycle performance, rate performance, and discharge capacity. The novel electrode configuration introduced in this study provides a novel pathway for the large-scale production of high-performance pre-lithiation Si–S batteries.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20301 - Mechanical engineering

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Sustainable Energy & Fuels

ISSN

2398-4902

e-ISSN

—

Svazek periodika

9

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

2137-2148

Kód UT WoS článku

001438784900001

EID výsledku v databázi Scopus

2-s2.0-105002987161