Journal of Water Process Engineering, Journal Year: 2024, Volume and Issue: 69, P. 106874 - 106874
Published: Dec. 27, 2024
Language: Английский
Journal of Water Process Engineering, Journal Year: 2024, Volume and Issue: 69, P. 106874 - 106874
Published: Dec. 27, 2024
Language: Английский
Biomaterials, Journal Year: 2025, Volume and Issue: 320, P. 123249 - 123249
Published: March 6, 2025
Language: Английский
Citations
1Progress in Organic Coatings, Journal Year: 2024, Volume and Issue: 194, P. 108593 - 108593
Published: June 8, 2024
Language: Английский
Citations
6Microporous and Mesoporous Materials, Journal Year: 2025, Volume and Issue: unknown, P. 113555 - 113555
Published: Feb. 1, 2025
Language: Английский
Citations
0RSC Advances, Journal Year: 2025, Volume and Issue: 15(14), P. 10984 - 11022
Published: Jan. 1, 2025
A new generation of functional coatings offers flame retardancy, antimicrobial efficacy, and self-cleaning properties, making them valuable additions to healthcare, the military, industrial applications.
Language: Английский
Citations
0Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140811 - 140811
Published: Nov. 1, 2024
Language: Английский
Citations
1The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: unknown
Published: Nov. 21, 2024
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features a heterojunction is proper band alignment between two materials. Estimation correct relative positions with density functional theory (DFT)-based electronic structure calculations often constrained by accuracy cost associated various DFT functionals. In this study, we introduce novel computational approach that achieves alignments closely matching experimental results widely used PBE functional. We specifically examine well-documented MoO3/MoS2 system, type-II heterojunction. our setup, MoS2 layers kept they are, but for MoO3, individual chosen differently. These alternative have higher surface energy, hence, edges than those conventional layers. This shift MoO3 changes from type-III to experimentally observed character. also extend strategy additional systems, demonstrating its versatility effectiveness.
Language: Английский
Citations
1Journal of Water Process Engineering, Journal Year: 2024, Volume and Issue: 69, P. 106874 - 106874
Published: Dec. 27, 2024
Language: Английский
Citations
0