Synthesis, Characterization, and Magnetocaloric Properties of Double Perovskite BaSrNiMoO6 for Magnetic Refrigeration Applications

A DFT investigation of lead-free TlSnX3 (X = Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices

“…Consequently, it can be inferred that the replacement of the halogen does not significantly alter the bonding characteristics of these compounds, as Tl–X and Sn–X bonds remain predominantly ionic and covalent, respectively, irrespective of the specific X anion. This observation aligns with the characteristics of other ABX 3 perovskites including oxide (X = O), 58–60 halide (X = Cl, Br, I) perovskites 61 and antiperovskites. 62 Across these structures, the A–X bonds generally exhibit an ionic nature, 63 consistent with the findings in our study where Tl–X is identified as predominantly ionic.…”

Optoelectronic, thermoelectric and 3D-Elastic properties of lead-free inorganic perovskites CsInZrX6 (I, Cl and Br) for optoelectronic and thermoelectric applications

“…The thermal conductivity (K) of a material is also important to characterize the thermoelectric performance of the material. This parameter is the sum of the electronic contribution to conductivity k e and the lattice contribution to conductivity k l , which can be written as K = k e + k l [104]. The contribution of the electronic component to the thermal conductivity of the materials over the relaxation time (k e /τ) was computed and visualized in figure 11(b), from which it is evident that the electronic thermal conductivity is directly proportional to the temperature.…”

“…The computed S values for CsInZrBr 6, CsInZrI 6 and CsInZrCl 6 are 170, 168 and 142 μV K −1 at 50 K and increase to attain 204, 188 and 204 μV K −1 at 200 K and then start to decrease with temperature. Given the fact that the Seebeck coefficient and carrier concentration are inversely related [103,104], the drop in the Seebeck coefficient with temperature may be a result of an increase in carrier concentration. The CsInZrCl 6 has a higher value of Seebeck coefficient than CsInZrBr 6 and CsInZrI 6 in the whole temperature range, therefore, CsInZrCl 6 induces large temperature dependent potential gradients.…”