Department of Science and Technology and Biotechnology

Zero-Dimensional Bismuth Halide Thin Films with High Orientation and Broadband Emission

Abstract Lead-free low-dimensional metal halides are emerging as highly tunable materials for optoelectronic applications. Here, we report a new class of zero-dimensional bismuth halides incorporating phenethylammonium (PEA) cations, namely PEA4BiI7 and PEA4BiBr7, and investigate...

Silica–water model using the Vashishta force field

Nanoscale interactions between silica (SiO2) and water (H2O) significantly influence the behavior of materials such as rocks, glasses, ceramics, and cements in geological and engineered environments. Accurate simulation of these interfacial phenomena requires force fields capable...