Designed 2D/2D F-doped TiO@ZnInS heterojunction for efficient photo-utilization hydrogen generation.

J Colloid Interface Sci

Faculty of Materials Science and Chemistry, China University of Geosciences, 388 Lumo Road, Wuhan 430074, China. Electronic address:

Published: March 2025


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

Comprehending the catalytic reaction implementation for heterostructure photocatalysts is crucial by scrutinizing the spatial separation and transfer process of photoexcited charges at nanoscale junctions. Herein, we fabricated the F-doped TiO/ZnInS-based S-scheme heterostructure using a direct liquid-assembly method. The optimum hydrogen evolution rate (HER) of ∼ 1.58 mmol gh was acquired for 30-FT@ZIS, which was about 15 and 2 times superior to the pristine F-doped TiO and ZnInS, respectively. The interaction between F-doped TiO and ZnInS facilitated the charge transfer from ZIS to FT which was confirmed through XPS. UV-vis spectroscopy and Mott-Schottky validated that F-doped TiO and ZnInS retain the suitable energy band alignment for the S-scheme heterostructure. In situ, KPFM and EPR analysis revealed that F-doped TiO and ZnInS possess a spontaneous photoelectrochemical response, and their junction significantly improves the internal electric field by separating photoexcited charge carriers. This work provides a conclusive experimental and theoretical validation for an internal electric field and charge flow direction in non-noble-metal-based heterostructure photocatalysts.

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.jcis.2024.11.124DOI Listing

Publication Analysis

Top Keywords

f-doped tio
16
tio znins
16
heterostructure photocatalysts
8
s-scheme heterostructure
8
internal electric
8
electric field
8
f-doped
6
designed 2d/2d
4
2d/2d f-doped
4
f-doped tio@znins
4

Similar Publications

Polarons are crucial for charge transport in semiconductors, significantly impacting material properties and device performance. The dynamics of small polarons can be investigated using first-principles molecular dynamics. However, the limited timescale of these simulations presents a challenge for adequately sampling infrequent polaron hopping events.

View Article and Find Full Text PDF

Influence of Fluorine Doping on Rutile TiO Nanostructures for Visible-Light-Driven Photocatalysis: A DFT + U Study.

Nanomaterials (Basel)

May 2025

Department of Chemical and Physical Sciences, Walter Sisulu University, Private Bag X1, Mthatha 5117, South Africa.

In this work, a density functional theory (DFT) with Hubbard correction (U) approaches implemented through the Quantum ESPRESSO code is utilized to investigate the effects of fluorine (F) doping on the structural, electronic, and optical properties of rutile TiO. Rutile TiO is a promising material for renewable energy production and environmental remediation, but its wide bandgap limits its application to the UV spectrum, which is narrow and expensive. To extend the absorption edge of TiO into the visible light range, different concentrations of F were substituted at oxygen atom sites.

View Article and Find Full Text PDF

The complete catalytic oxidation of propane (CH) at low temperatures remains challenging due to the competitive adsorption between the oxidation of the O and CH molecules. In this study, we propose an innovative approach to enhance CH oxidation by strategically designing active Pt sites with modulated electronic structures on F-doped TiO-supported Pt catalyst (Pt/F-TiO), which exhibits 50 and 90% of propane conversion at 200 and 320 °C. Our mechanistic study reveals that the electron coupling between Pt 5d and F 2p alters the d orbital electron property, which leads to generation of abundant efficient electron-enriched Pt species.

View Article and Find Full Text PDF

Enhancing photocatalytic performance of F-doped TiO through the integration of small amounts of a quinoline-based covalent triazine framework.

Nanoscale

April 2025

Departamento de Química Inorgánica, Facultad de Ciencias, Calle Francisco Tomás y Valiente, 7, Universidad Autónoma de Madrid, Ciudad Universitaria de Cantoblanco, 28049, Madrid, Spain.

We present the design and synthesis of a new quinoline-based covalent triazine framework (Quin-CTF) that combines two photoactive fragments within its structure (triazine and quinoline moieties). By hybridizing this CTF material with fluorine-doped titanium dioxide (F-TiO2), we prepared and characterized photocatalysts with enhanced performance that leverage the synergy between the two components for pollutant photodegradation in water. This F-TiO2@CTF hybrid system was evaluated for the photocatalytic degradation of methylene blue dye and a pharmaceutical compound such as ciprofloxacin as model water pollutants.

View Article and Find Full Text PDF

This study uses the Quantum ESPRESSO code to introduce Hubbard correction (U) to the density functional theory (DFT) in order to examine the effects of non-metals (C, F, N, and S) doping on the structural, electronic, and optical characteristics of rutile TiO. Rutile TiO is a substance that shows promise for use in renewable energy production, including fuels and solar energy, as well as environmental cleanup. Its wide bandgap, however, restricts their uses to areas with UV light.

View Article and Find Full Text PDF