“…In recent years, a variety of light absorber materials have been studied in both organic and inorganic systems [29][30][31][32][33][34][35][36][37][38][39][40][41][42]. Due to their great processability, wide optical absorption crosssection, and good thermal stability [43][44][45][46][47][48][49][50][51][52][53][54][55][56], hybrid organic-inorganic halide perovskites are regarded as being suitable materials for mesoscopic solar cells [57][58][59][60][61][62][63][64][65][66][67][68][69][70][71][72]. They have the general chemical formula ABX 3 , where A is an organic/inorganic cation (e.g., Cs + : cesium, (CH 3 NH 3 ) + : methylammonium, MA + ; (CH(NH 2 ) 2 ) + : formamidinium, FA + ), X is a halogen anion (e.g., X = I − , Br − , Cl − ), and B is a divalent metal cation (e.g., Pb 2+ ) [73]…”
Hybrid organic–inorganic halide perovskites (HOIPs) have recently represented a material breakthrough for optoelectronic applications. Obviously, studying the interactions between the central organic cation and the Pb-X inorganic octahedral could provide a better understanding of HOIPs. In this work, we used a first-principles theoretical study to investigate the effect of different orientations of central formamidinium cation (FA+) on the electronic and optical properties of FAPbBr3 hybrid perovskite. In order to do this, the band structure (with and without spin–orbit coupling (SOC)), density of states (DOS), partial density of states (PDOS), electron density, distortion index, bond angle variance, dielectric function, and absorption spectra were computed. The findings revealed that a change in the orientation of FA+ caused some disorders in the distribution of interactions, resulting in the formation of some specific energy levels in the structure. The interactions between the inorganic and organic parts in different directions create a distortion index in the bonds of the inorganic octahedral, thus leading to a change in the volume of PbBr6. This is the main reason for the variations observed in the electronic and optical properties of FAPbBr3. The obtained results can be helpful in solar-cell applications.
“…In recent years, a variety of light absorber materials have been studied in both organic and inorganic systems [29][30][31][32][33][34][35][36][37][38][39][40][41][42]. Due to their great processability, wide optical absorption crosssection, and good thermal stability [43][44][45][46][47][48][49][50][51][52][53][54][55][56], hybrid organic-inorganic halide perovskites are regarded as being suitable materials for mesoscopic solar cells [57][58][59][60][61][62][63][64][65][66][67][68][69][70][71][72]. They have the general chemical formula ABX 3 , where A is an organic/inorganic cation (e.g., Cs + : cesium, (CH 3 NH 3 ) + : methylammonium, MA + ; (CH(NH 2 ) 2 ) + : formamidinium, FA + ), X is a halogen anion (e.g., X = I − , Br − , Cl − ), and B is a divalent metal cation (e.g., Pb 2+ ) [73]…”
Hybrid organic–inorganic halide perovskites (HOIPs) have recently represented a material breakthrough for optoelectronic applications. Obviously, studying the interactions between the central organic cation and the Pb-X inorganic octahedral could provide a better understanding of HOIPs. In this work, we used a first-principles theoretical study to investigate the effect of different orientations of central formamidinium cation (FA+) on the electronic and optical properties of FAPbBr3 hybrid perovskite. In order to do this, the band structure (with and without spin–orbit coupling (SOC)), density of states (DOS), partial density of states (PDOS), electron density, distortion index, bond angle variance, dielectric function, and absorption spectra were computed. The findings revealed that a change in the orientation of FA+ caused some disorders in the distribution of interactions, resulting in the formation of some specific energy levels in the structure. The interactions between the inorganic and organic parts in different directions create a distortion index in the bonds of the inorganic octahedral, thus leading to a change in the volume of PbBr6. This is the main reason for the variations observed in the electronic and optical properties of FAPbBr3. The obtained results can be helpful in solar-cell applications.
“…In all types of hybrid perovskites, divalent metallic cations form a BX 6 octahedral with halogen anions [43][44][45][46][47][48][49][50][51][52][53][54][55][56]. Most of the electronic and optical properties of hybrid perovskites depend on the BX 6 framework [57][58][59][60][61][62][63][64][65][66][67][68][69][70]. These materials are found in an orthorhombic phase at low temperatures (space group: Pnma) [71][72][73][74][75][76][77][78][79][80][81][82][83][84].…”
Hybrid inorganic perovskites (HIPs) have been developed in recent years as new high-efficiency semiconductors with a wide range of uses in various optoelectronic applications such as solar cells and light-emitting diodes (LEDs). In this work, we used a first-principles theoretical study to investigate the effects of phase transition on the electronic and optical properties of CsPbI3 pure inorganic perovskites. The results showed that at temperatures over 300 °C, the structure of CsPbI3 exhibits a cube phase (pm3m) with no tilt of PbI6 octahedra (distortion index = 0 and bond angle variance = 0). As the temperature decreases (approximately to room temperature), the PbI6 octahedra is tilted, and the distortion index and bond angle variance increase. Around room temperature, the CsPbI3 structure enters an orthorhombic phase with two tilts PbI6 octahedra. It was found that changing the halogens in all structures reduces the volume of PbI6 octahedra. The tilted PbI6 octahedra causes the distribution of interactions to vary drastically, which leads to a change in band gap energy. This is the main reason for the red and blue shifts in the absorption spectrum of CsPbI3. In general, it can be said that the origin of all changes in the structural, electronic, and optical properties of HIPs is the changes in the volume, orientation, and distortion index of PbI6 octahedra.
“…Heat exchangers are used in various industries such as air conditioning [7][8][9][10][11], automobile, oil and gas, and many other industries [6,12,13]. Heating equipment in process systems such as refineries is generally divided into two general categories of furnaces and heat exchangers [14][15][16][17][18][19]. The difference between a furnace and a heat exchanger is in the heating source [20][21][22][23], which means that the heating source is liquid and gas [24][25][26][27][28][29].…”
Heat exchangers with unique specifications are administered in the food industry, which has expanded its sphere of influence even to the automotive industry due to this feature. It has been used for convenient maintenance and much easier cleaning. In this study, two different nanomaterials, such as Cu-based nanoparticles and an organic nanoparticle of Chloro-difluoromethane (R22), were used as nanofluids to enhance the efficiency of heat transfer in a turbulator. It is simulated by computational fluid dynamics software (Ansys-Fluent) to evaluate the Nusselt number versus Reynolds number for different variables. These variables are diameter ratio, torsion pitch ratio, and two different nanofluids through the shell tube heat exchanger. It is evident that for higher diameter ratios, the Nusselt number has been increased significantly in higher Reynolds numbers as the heat transfer has been increased in turbulators. For organic fluids (R22), the Nusselt number has been increased significantly in higher Reynolds numbers as the heat transfer has been increased in turbulators due to the proximity of heat transfer charges. At higher torsion pitch ratios, the Nusselt number has been increased significantly in the higher Reynolds number as the heat transfer has been increased in turbulators, especially in higher velocities and pipe turbulence torsions.
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