Cu, B co-modification boosted the photogenerated carrier separation efficiency in C3N4 for enhanced hydrogen evolution

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 62, P. 541 - 550

Published: March 14, 2024

Language: Английский

---

Advances in Computational Methods for Modeling Photocatalytic Reactions: A Review of Recent Developments

Materials, Journal Year: 2024, Volume and Issue: 17(9), P. 2119 - 2119

Published: April 30, 2024

Photocatalysis is a fascinating process in which photocatalyst plays pivotal role driving chemical reaction when exposed to light. Its capacity harness light energy triggers cascade of reactions that lead the formation intermediate compounds, culminating desired final product(s). The essence this interaction between photocatalyst’s excited state and its specific interactions with reactants, resulting creation intermediates. process’s appeal further enhanced by cyclic nature—the rejuvenated after each cycle, ensuring ongoing sustainable catalytic action. Nevertheless, comprehending photocatalytic through modeling photoactive materials molecular devices demands advanced computational techniques founded on effective quantum chemistry methods, multiscale modeling, machine learning. This review analyzes contemporary theoretical spanning range lengths accuracy scales, assesses strengths limitations these methods. It also explores future challenges complex nano-photocatalysts, underscoring necessity integrating various methods hierarchically optimize resource distribution across different scales. Additionally, discussion includes chemistry, crucial element understanding photocatalysis.

Language: Английский

---

Graphite carbon nitride photocatalytic materials: A roadmap to modification for current and future water purification

Journal of environmental chemical engineering, Journal Year: 2023, Volume and Issue: 11(5), P. 110869 - 110869

Published: Aug. 28, 2023

Language: Английский

---

Highly efficient synthesis of isoxazolones and pyrazolones using g-C3N4·OH nanocomposite with their in silico molecular docking, pharmacokinetics and simulation studies

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Aug. 18, 2024

An environmentally friendly, versatile multicomponent reaction for synthesizing isoxazol-5-one and pyrazol-3-one derivatives has been developed, utilizing a freshly prepared g-C

Language: Английский

---

Engineering of Graphitic Carbon Nitride (g‐C₃N₄) Based Photocatalysts for Atmospheric Protection: Modification Strategies, Recent Progress, and Application Challenges

Small, Journal Year: 2024, Volume and Issue: 20(45)

Published: Aug. 18, 2024

Graphitic carbon nitride (g-C

Language: Английский

---