Glue-assisted exfoliation of two-dimensional sulfur-rich niobium thiophosphate (Nb4P2S21) for sulfur-equivalent electrode study in lithium storage

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F25%3A10497930" target="_blank" >RIV/00216208:11310/25:10497930 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22310/25:43931553

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=l6TOTK2SN-" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=l6TOTK2SN-</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d4na01060d" target="_blank" >10.1039/d4na01060d</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Glue-assisted exfoliation of two-dimensional sulfur-rich niobium thiophosphate (Nb4P2S21) for sulfur-equivalent electrode study in lithium storage

Popis výsledku v původním jazyce

Two-dimensional (2D) layered thiophosphates have garnered attention for advanced battery technology due to their open ionic diffusion channels, high capacity, and unique catalytic properties. However, their potential in energy storage applications remains largely unexplored. In this study, we report a 2D transition metal thiophosphate (Nb4P2S21) with high sulfur content, synthesized via chemical vapor transport (CVT). The bulk material, exhibiting a layered quasi-one-dimensional (quasi-1D) structure, can be exfoliated into high-quality nanoplates using glue-assisted grinding. Density functional theory (DFT) calculations reveal a direct bandgap of 1.64 eV (HSE06 method) for Nb4P2S21, aligning with its near-infrared (NIR) photoluminescence at 755 nm. Despite an initial discharge capacity of 1500 mA h g(-1), the material shows low reversible capacity and rapid capacity decay at 0-2.6 V. In situ Raman confirms the formation of polysulfides during cycling. Given its high sulfur content, the material was evaluated at 0.5-2.6 V, 1.0-2.6 V, and 1.5-2.6 V to assess its sulfur-equivalent cathode performance. In carbonate-based electrolytes, electrochemical performance is hindered by polysulfide formation and side reactions, but switching to ether-based electrolytes improves initial reversible capacity and coulombic efficiency due to additional Li(x)S conversion above 2.2 V. EDS and TOF-SIMS analyses of cycled electrodes show a significant sulfur loss, worsening the polysulfide shuttle effect and leading to battery failure. Adapting strategies from lithium-sulfur batteries, such as polar host catalysts, could enhance the material&apos;s performance.

Název v anglickém jazyce

Glue-assisted exfoliation of two-dimensional sulfur-rich niobium thiophosphate (Nb4P2S21) for sulfur-equivalent electrode study in lithium storage

Popis výsledku anglicky

Two-dimensional (2D) layered thiophosphates have garnered attention for advanced battery technology due to their open ionic diffusion channels, high capacity, and unique catalytic properties. However, their potential in energy storage applications remains largely unexplored. In this study, we report a 2D transition metal thiophosphate (Nb4P2S21) with high sulfur content, synthesized via chemical vapor transport (CVT). The bulk material, exhibiting a layered quasi-one-dimensional (quasi-1D) structure, can be exfoliated into high-quality nanoplates using glue-assisted grinding. Density functional theory (DFT) calculations reveal a direct bandgap of 1.64 eV (HSE06 method) for Nb4P2S21, aligning with its near-infrared (NIR) photoluminescence at 755 nm. Despite an initial discharge capacity of 1500 mA h g(-1), the material shows low reversible capacity and rapid capacity decay at 0-2.6 V. In situ Raman confirms the formation of polysulfides during cycling. Given its high sulfur content, the material was evaluated at 0.5-2.6 V, 1.0-2.6 V, and 1.5-2.6 V to assess its sulfur-equivalent cathode performance. In carbonate-based electrolytes, electrochemical performance is hindered by polysulfide formation and side reactions, but switching to ether-based electrolytes improves initial reversible capacity and coulombic efficiency due to additional Li(x)S conversion above 2.2 V. EDS and TOF-SIMS analyses of cycled electrodes show a significant sulfur loss, worsening the polysulfide shuttle effect and leading to battery failure. Adapting strategies from lithium-sulfur batteries, such as polar host catalysts, could enhance the material&apos;s performance.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

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

2025

Kód důvěrnosti údajů

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

Název periodika

Nanoscale Advances

ISSN

2516-0230

e-ISSN

2516-0230

Svazek periodika

7

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

1860-1871

Kód UT WoS článku

001415328400001

EID výsledku v databázi Scopus

2-s2.0-105001209249