Capture of geogenic pollutants through Borophene B36: In silico analysis from a DFT approach.

Capture of geogenic pollutants through Borophene B36: In silico analysis from a DFT approach.

This work investigates the interaction mechanisms between geogenic (arsenic and fluoride) pollutants and the B36 nanocluster using density functional theory (DFT). Structural optimizations and energetic analyses reveal strong chemisorption for both fluoride and arsenic in the gas phase, with adsorpt...

Full description

Saved in:
Bibliographic Details
Main Authors: Noé Brígido-Salvador, Luz Palomino-Asencio, Rafael Catarino-Centeno, Pricila Betbirai Romero-Vázquez, Laura Gabriela Elvir-Padilla, Erwin García-Hernández
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Materials
Subjects:
Borophene
Geogenic pollutants
DFT calculations
Contamination
Online Access:http://www.sciencedirect.com/science/article/pii/S2949822825004277
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

http://www.sciencedirect.com/science/article/pii/S2949822825004277

Similar Items