Imran Hossain Sabuj, Quazi Shafayat Hossain, Sadiq Shahriyar Nishat, Sharmin Jahan, M. N. I. Khan, Umme Sarmeen Akhtar, Muhammad Shahriar Bashar, Dipa Islam, Zakir Sultan, Sharmin Jahan, Khandker Saadat Hossain, Sazzad M. S. Imran, Imtiaz Ahmed
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.