Harnessing Ti3C2-WS2 nanostructures as efficient energy scaffoldings for photocatalytic hydrogen generation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F24%3A43930001" target="_blank" >RIV/60461373:22310/24:43930001 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2589234724003002" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2589234724003002</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.mtsust.2024.100964" target="_blank" >10.1016/j.mtsust.2024.100964</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Harnessing Ti3C2-WS2 nanostructures as efficient energy scaffoldings for photocatalytic hydrogen generation

Popis výsledku v původním jazyce

Two-dimensional (2D) Ti3C2 MXene have attracted a lot of attention as frontier materials for the development of effective photocatalysts that can transform solar energy into chemical energy, which is essential for water splitting to produce hydrogen. Here, we use first principle calculations to understand the structural, electronic, and vibrational features of a novel heterostructure comprising a monolayer of tungsten disulfide (WS2) and titanium carbide (Ti3C2) MXene. Our theoretical calculations revealed that the Ti3C2 maximizes the interfacial contact area with the WS2 monolayer creating a strong p-d hybridization for the WS2/Ti3C2 heterostructure. As a result, a well-constructed Schottky junction is enabled, facilitating an interconnected electron pathway across the interface which is conducive for an efficient photocatalytic performance. Further, the experimentally designed WS2/Ti3C2 heterostructure and its photocatalytic activity based on the synergistic action between MXene and WS2 is investigated. Optical properties calculated are compared with experimental data derived from UV-Visible spectroscopy. The excellent conductivity and stability along with the light absorption in the visible region of WS2/Ti3C2 enhances the photocatalytic performance approaching photocurrent densities of similar to 33 and 120 mu A/cm(2) in the HER and OER region, respectively. Overall, the present research not only improves our understanding of WS2/Ti3C2 heterostructure for an improved photocatalytic activity, but also provides an efficient method toward sustainable hydrogen production.

Název v anglickém jazyce

Harnessing Ti3C2-WS2 nanostructures as efficient energy scaffoldings for photocatalytic hydrogen generation

Popis výsledku anglicky

Two-dimensional (2D) Ti3C2 MXene have attracted a lot of attention as frontier materials for the development of effective photocatalysts that can transform solar energy into chemical energy, which is essential for water splitting to produce hydrogen. Here, we use first principle calculations to understand the structural, electronic, and vibrational features of a novel heterostructure comprising a monolayer of tungsten disulfide (WS2) and titanium carbide (Ti3C2) MXene. Our theoretical calculations revealed that the Ti3C2 maximizes the interfacial contact area with the WS2 monolayer creating a strong p-d hybridization for the WS2/Ti3C2 heterostructure. As a result, a well-constructed Schottky junction is enabled, facilitating an interconnected electron pathway across the interface which is conducive for an efficient photocatalytic performance. Further, the experimentally designed WS2/Ti3C2 heterostructure and its photocatalytic activity based on the synergistic action between MXene and WS2 is investigated. Optical properties calculated are compared with experimental data derived from UV-Visible spectroscopy. The excellent conductivity and stability along with the light absorption in the visible region of WS2/Ti3C2 enhances the photocatalytic performance approaching photocurrent densities of similar to 33 and 120 mu A/cm(2) in the HER and OER region, respectively. Overall, the present research not only improves our understanding of WS2/Ti3C2 heterostructure for an improved photocatalytic activity, but also provides an efficient method toward sustainable hydrogen production.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

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

2024

Kód důvěrnosti údajů

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

Název periodika

Materials Today Sustainability

ISSN

2589-2347

e-ISSN

2589-2347

Svazek periodika

28

Číslo periodika v rámci svazku

December 2024

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

—

Kód UT WoS článku

001314241600001

EID výsledku v databázi Scopus

2-s2.0-85203433087