TiO2-based photocatalysts from type-II to S-scheme heterojunction and their applications

Journal of Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 675, P. 150 - 191

Published: June 27, 2024

Language: Английский

---

Innovative fabrication of highly efficient CeO2 ceramic nanomaterials for enhanced photocatalytic degradation of toxic contaminants under sunlight

Ceramics International, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 1, 2024

Language: Английский

---

First principles investigation for the hydrogen storage properties of novel lithium-based XLiH3 (X=K, Rb) perovskite-type hydrides for advance hydrogen storage system

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 87, P. 566 - 573

Published: Sept. 10, 2024

Language: Английский

---

Optoelectronic and structural properties of bulk cubic perovskite RbTaO3 and surface (0 0 1) for optoelectronic and spintronics applications

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: 327, P. 129778 - 129778

Published: Aug. 16, 2024

Language: Английский

---

The modulation of the electronic properties of MoSi2N4/CdS heterostructure by interlayer spacing, strain, and electric field: A first-principles investigations

Chinese Journal of Physics, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 1, 2025

Language: Английский

---

Applications of machine learning in surfaces and interfaces

Chemical Physics Reviews, Journal Year: 2025, Volume and Issue: 6(1)

Published: March 1, 2025

Surfaces and interfaces play key roles in chemical material science. Understanding physical processes at complex surfaces is a challenging task. Machine learning provides powerful tool to help analyze accelerate simulations. This comprehensive review affords an overview of the applications machine study systems materials. We categorize into following broad categories: solid–solid interface, solid–liquid liquid–liquid surface solid, liquid, three-phase interfaces. High-throughput screening, combined first-principles calculations, force field accelerated molecular dynamics simulations are used rational design such as all-solid-state batteries, solar cells, heterogeneous catalysis. detailed information on for

Language: Английский

---

First-principles investigation of Sc and Ti-decorated hBN monolayers as adsorbents and gas sensors for SF6 decomposition products

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112708 - 112708

Published: March 1, 2025

Language: Английский

---

First-Principles Insights into Interlayer Distance, Strain, and Electric Field-Modulated Electronic Properties of FeCl₃/WSi₂N₄ Heterostructures

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

Published: March 26, 2025

Language: Английский

---

Enhanced photocatalytic degradation of tetracycline by Mn,S co-doped TiO2 under visible-light irradiation

Journal of Photochemistry and Photobiology A Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 116423 - 116423

Published: April 1, 2025

Language: Английский

---

Comparative Study of Electronic and Optical Properties of Monolayer MoSi2N4 with Adsorbed Functional Groups

Solid State Communications, Journal Year: 2025, Volume and Issue: unknown, P. 115952 - 115952

Published: April 1, 2025

Language: Английский

---