Systematic study of optoelectronic and thermoelectric properties of new lead-free halide double perovskites A2KGaI6(A = Cs, Rb) for solar cell applications via ab-initio calculations

Lead-free all-inorganic halide double perovskite materials for optoelectronic applications: progress, performance and design

“…122 Hind et al performed thermoelectric correlation investigations on the double perovskite Cs 2 KTlX 6 (X = Cl, Br, and I), and these compounds exhibited a high figure of merit in a low temperature range and at 300 K. 123 Muhammad et al studied new LFAIHDPs, i.e., A 2 KGaI 6 (A = Cs and Rb) with a high thermal efficiency due to their superior conductivity. 10 Khatir et al calculated the thermoelectric properties of Cs 2 AgFeCl 6 in the range of 100-900 K using the Boltzmann transport equation. Its thermoelectric response was evaluated, and the results showed that Cs 2 AgFeCl 6 is a promising candidate material for high-temperature and low-temperature thermoelectric applications.…”

“…, A 2 KGaI 6 (A = Cs and Rb) with a high thermal efficiency due to their superior conductivity. 10 Khatir et al calculated the thermoelectric properties of Cs 2 AgFeCl 6 in the range of 100–900 K using the Boltzmann transport equation. Its thermoelectric response was evaluated, and the results showed that Cs 2 AgFeCl 6 is a promising candidate material for high-temperature and low-temperature thermoelectric applications.…”

“…5,6 However, although perovskites exhibit excellent optoelectronic properties, their poor stability and toxicity are the main challenges that need to be overcome for their industrial application, which requires further study and optimization of these materials. [7][8][9] Commonly proposed strategies to improve the stability of perovskites include the replacement of their A-site organic groups with inorganic metal cations (e.g., Cs, K, and Rb), [10][11][12][13] reduction of perovskite dimensions 14,15 and surface passivation. [16][17][18] Cesium-based double perovskites have been commonly reported in recent studies, 11,[19][20][21] with a remarkable improvement in thermal stability and high carrier mobilities.…”

“…7–9 Commonly proposed strategies to improve the stability of perovskites include the replacement of their A-site organic groups with inorganic metal cations ( e.g. , Cs, K, and Rb), 10–13 reduction of perovskite dimensions 14,15 and surface passivation. 16–18 Cesium-based double perovskites have been commonly reported in recent studies, 11,19–21 with a remarkable improvement in thermal stability and high carrier mobilities.…”

Dielectric properties of (1‑x) PbMg1/3Nb2/3 O3 ‑ (x) AlBiO3 ceramic nanomaterials

“…According to theoretical studies, the AB crystal structure possesses rhombohedral symmetry resembling perovskites, a very high spontaneous polarization of about 76 C/cm 2 , and a Curie temperature of 800K. However, it was rapidly discovered through research of various perovskite compositions that some perovskites in particular exhibit remarkable dielectric behavior when compared to traditional ferroelectrics [1][2][3].…”