Experimental and theoretical exploration of bismuth oxyhalide (BiOX, X = Cl, Br, I) nanoparticles in thermoelectric, optoelectronic, and photocatalytic applications
Abstract
turned out to be 0.51, 0.76, and 1.49 near 990 K in BiOCl, BiOBr, and BiOI, respectively, indicating them as promising thermoelectric materials. The photoluminescence emissions of BiOCl, BiOBr, and BiOI were detected in the opto-electronically favorable visible ranges of 366-521, 335-658, and 393-658 nm, respectively. The theoretical electronic band alignment analysis of BiOX facilitated the straddling of the relevant redox potentials, supporting the photocatalytic degradation of rhodamine B dye. In essence, this work provides comprehensive information on functional properties of BiOX nanoparticles relevant in thermoelectric, optoelectronic, and photocatalytic applications with a combined DFT-experimental approach.
Fields of Study & Subjects
Advanced Photocatalysis Techniques
Advanced Thermoelectric Materials and Devices
Gas Sensing Nanomaterials and Sensors
Publication details
- Journal / source
- RSC Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 16
- Issue
- 4
- Pages
- 3648–3661
- Publication date
- 1 January 2026
- Language
- EN