Synergizing internal electric field and quantum-confined stark effect for customized carrier dynamics in two-dimensional heterostructures DOI
Z.H. Zhang, Yingcai Fan, Xikui Ma

et al.

Journal of Catalysis, Journal Year: 2024, Volume and Issue: unknown, P. 115877 - 115877

Published: Nov. 1, 2024

Language: Английский

Navigating the Evolution of Carbon Nitride Research: Integrating Machine Learning into Conventional Approaches DOI

Deep Mondal,

Sujoy Datta, Debnarayan Jana

et al.

Physical Chemistry Chemical Physics, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Carbon nitride research has reached a promising point in today's endeavours with diverse applications including photocatalysis, energy storage, and sensing due to their unique electronic structural properties. Recent advances machine learning (ML) have opened new avenues for exploring optimizing the potential of these materials. This study presents comprehensive review integration ML techniques carbon an introduction CN classifications recent advancements. We discuss methodologies employed, such as supervised learning, unsupervised reinforcement predicting material properties, synthesis conditions, enhancing performance metrics. Key findings indicate that algorithms can significantly reduce experimental trial-and-error, accelerate discovery processes, provide deeper insights into structure-property relationships nitride. The synergistic effect combining traditional approaches is highlighted, showcasing studies where driven models successfully predicted novel compositions enhanced functional Future directions this field are also proposed, emphasizing need high-quality datasets, advanced models, interdisciplinary collaborations fully realize materials next-generation technologies.

Language: Английский

Citations

1
Recent advances in metal-free photosensitizers for dye-sensitized photoelectrochemical cells DOI
Xiaolin Wang, Jianfeng Huang, Jun‐Min Liu

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 522, P. 216143 - 216143

Published: Sept. 14, 2024

Language: Английский

Citations

6
A review of strategies to switch heterojunction system from type-II to S-scheme for photocatalytic applications DOI
Muhammad Musavir Bilal,

Mohammed Qasem Alfaifi,

Samia Ben Ahmed

et al.

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109051 - 109051

Published: Oct. 30, 2024

Language: Английский

Citations

5
Visible-light-driven Z-scheme Bi2Sn2O7/CuBi2O4 heterojunction photocatalysts for the degradation of methylene blue and rhodamine B dyes DOI

Madhu Dharmapuri,

B. Ashok,

Someshwar Pola

et al.

Research on Chemical Intermediates, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 8, 2025

Language: Английский

Citations

0
Inorganic–Organic Bi4Nb1–xTaxO8Cl/rGO/SA-PTA Z-Scheme Heterojunction with a Third-Order Polarized Electric Field and a Fast Electron Transfer Channel for Photocatalytic Overall Water Splitting DOI

Kailong Gao,

Qi He,

Liuna Zhang

et al.

ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 5155 - 5170

Published: March 12, 2025

Language: Английский

Citations

0
Evidence of the As/PtSe2 Heterostructure with a Robust Built-In Electric Field as a Competitive Z-Scheme Photocatalyst for Overall Water Splitting DOI
Yee Hui Robin Chang, Masato Yoshiya, Keat Hoe Yeoh

et al.

The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

Language: Английский

Citations

0
Engineering bilayer GeSe/BiOI S-scheme heterojunction for solar-driven water-splitting hydrogen evolution DOI

Nianjun Luo,

Wenyi Tang, Biao Wang

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 127, P. 521 - 529

Published: April 15, 2025

Language: Английский

Citations

0
Study of direct Z-scheme water splitting photocatalytic Janus-WSSe/HfZrCO2 vdW heterostructures: First principles calculations DOI
Shizhuo Wang, Yifan Ma,

Feng Xue-Chao

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115243 - 115243

Published: April 1, 2025

Language: Английский

Citations

0
Photocarrier Dynamics of Two-Dimensional Aza-Fused Covalent Organic Frameworks as Bifunctional Photocatalysts toward Overall Water Splitting DOI

Priya Das,

Atish Ghosh, Pranab Sarkar

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(45), P. 62043 - 62051

Published: Oct. 31, 2024

Designing high-efficiency bifunctional photocatalysts toward photoinduced overall water splitting is one of the most promising and challenging research directions for clean energy generation. By employing static electronic structure calculation nonadiabatic molecular dynamics (NAMD) simulation, we herein established a recently synthesized two-dimensional (2D) aza-fused covalent organic framework (aza-COF) as potential photocatalyst reactions. Our calculated results reveal that overpotentials hydrogen evolution reaction oxygen are only 0.06 0.31 V, respectively, at pH = 4. The photoexcited charge carriers studied through NAMD simulation predicts electron–hole recombination time (25.15 ns), this confirms photogenerated electron hole migrate to active sites occurrence before they recombine. Therefore, our suggest 2D aza-COFs exhibit great metal-free single-material under visible light.

Language: Английский

Citations

3
Electrochemical synthesis and modification of novel TiO2 nanotubes: Chemistry and role of key synthesis parameters for photocatalytic applications in energy and environment DOI

Dilshod Boykobilov,

Sahil Thakur,

Akhtam Samiev

et al.

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 170, P. 113419 - 113419

Published: Nov. 4, 2024

Language: Английский

Citations

2