Determination of the mechanical, thermal, electronic and optoelectronics properties of BaMoO4 with oxygen vacancy by ab-initio calculations

Photo-enhanced piezocatalytic hydrogen evolution using in situ silver piezodeposited scheelite-type BaMoO4 and BaWO4

“…32 Scheelite type BaMoO 4 and BaWO 4 have been used in applications such as photocatalysis, electrocatalysis and sensing due to their optoelectronic, photoluminescence, electrochemical, and dielectric properties. [33][34][35][36][37][38][39][40][41] Tetragonal crystal structured BaMoO 4 and BaWO 4 have been investigated in our previous study for dye sensitized photocatalytic hydrogen production. 42 BaWO 4 and BaMoO 4 can show piezocatalytic activities because of their crystal structure, ferroelectric and dielectric properties.…”

Exploring the Halide Exchange Engineering on Lead-free Cs2AgSbCl6−δBrδ Mixed-Halide Double Perovskite: A DFT Study

“…The Debye temperature (θ D ) represents the temperature at which the highest frequency vibration mode (and consequently, all modes) is excited in a crystal. 66,67 From this perspective, the Debye temperature acts as a divider between the high-and low-temperature regions of a solid, being particularly useful for the study of thermal phenomena and properties (e.g., thermal conductivity, lattice vibration, specific heat, and volume thermal expansion coefficient). When the temperature T of a solid is raised above θ D , it is expected that each vibration mode is associated with an energy equal to k B T. At T < θ D , all high-frequency modes are suspended, with vibrational excitations due to acoustic vibrations.…”