DFT Insight into Structural, Electronic, Optical and Thermoelectric Properties of Eco-Friendly Double Perovskites Rb2GeSnX6 (X = Cl, Br) for Green Energy Generation

Optoelectronic and thermoelectric properties of novel stable lead-free cubic double perovskites A2NaIO6 (A = Ca, Sr) for renewable energy applications

“…This quantity can be calculated through a relation consisting of the electronic and lattice thermal conductivities ( κ e and κ L ), Seebeck coefficient ( S ), electrical conductivity ( σ ), and absolute temperature ( T ). 54,55 It is given underWithin a material, heat is transferred by either electrons or phonons. The electron and phonon contributions were calculated through κ e and κ L , respectively, and are shown in Fig.…”

Structural, elastic, mechanical, electronic, and magnetic properties of In2NbX6 (X = Cl, Br) variant perovskites

“…A thermodynamic stable compound is required for device based applications. This stability can be examined by negative value of formation energy (ΔH f ) [27,28]. Therefore, ΔH f for In 2 NbX 6 variant perovskites have been calculated through Equation (1) [29].…”

Investigations of the structural, mechanical and optoelectronic attributes of Rb2BB'Tl I6 ( B'= As, Ga) double perovskites for photovoltaics

“…Furthermore, halide perovskites have gained much popularity in the last few decades due to their high structural stability and have been used in numerous applications in the eld of optoelectronics [15,16]. Double perovskites like Rb 2 AgBiBr 6 /I 6 , Rb 2 AlInCl 6 , Cs 2 GeCl 6 /Br 6 , Rb 2 AlInBr 6 , Rb 2 GeSnCl 6 , Rb 2 AlInl 6 , and Rb 2 GeSnBr 6 show convincing absorption in visible and UV region [17][18][19][20]. Rb 2 LiTlCl 6 and Rb 2 LiTlBr 6 with direct bandgap of 2.90 eV and 1.66 eV, respectively [21] and K 2 AgAsX 6 (X = Cl, Br) possess indirect bandgap and expected to be potential candidates for optoelectronic applications [22].…”