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1 Chapter 1Figure 1.1 The different recombination processes in semiconductors.Figure 1.2 Flowchart showing steps for calculation using ASA adapted from [3].Figure 1.3 Action panel of SCAPS.Figure 1.4 Solar cell definition panel of SCAPS.Figure 1.5 Layer properties panel in SCAPS.Figure 1.6 Screenshot of energy bands panel window in SCAPS.

2 Chapter 2Figure 2.1 Generations of the photovoltaic cells.Figure 2.2 Evolution of perovskite solar cell from reduction of size of light absorbing layer from...Figure 2.3 The crystal structure of the perovskite [6].Figure 2.4 Working of the perovskite solar cell [11].Figure 2.5 Depiction of two main types of PSC [12].Figure 2.6 Schematic diagram of four types of perovskite solar cell...Figure 2.7 Transitions in direct and indirect semiconductor [33].Figure 2.8 Open-circuit voltage (Voc) versus optical band gap (Eg)...

3 Chapter 3Figure 3.1 Schematic diagrams of mesoscopic heterojunction solar cell structure ...Figure 3.2 Schematic of the solvent engineering process in the one-step depositi...Figure 3.3 Schematic diagram of the sequential-deposition technique: Dipping in ...Figure 3.4 Schematic diagram of perovskite layer from compact PbI2 (top) and por...Figure 3.5 Scanning electron microscope images of PbI2 films...Figure 3.6 Nucleation and growth mechanism (a) without and (b) with MAI-capped P...Figure 3.7 Schematic view of the (a) HCM crystallization and (b) conventional crystallization...Figure 3.8 Schematic view of conventional crystallization (top) and HCM-crystall...Figure 3.9 Growth mechanism of perovskite layer on hydrophilic vs hydrophobic la...Figure 3.10 Contact angles of the Porphyrin (left) and Cobalt-Porphyrin (right) ...Figure 3.11 SEM images of perovskite layer deposited on (a) Porphyrin and (b) Co...Figure 3.12 Schematic of the solvent vapor annealing method.Figure 3.13 Schematics of the interdiffusion process and solvent vapor annealing...

4 Chapter 4Figure 4.1 (a) Diagrammatic depiction of AVC process for the growth of single crystals...Figure 4.2 Diagrammatic depiction of ITC technique for the formation...Figure 4.3 (a) Schematic of the experiment examination...Figure 4.4 Schematic illustration of MITC technique...Figure 4.5 (a) Schematic depiction of the heating process utilizing homothermal aluminum block...Figure 4.6 (a) Illustrative diagram of TSSG method...Figure 4.7 (a) Illustrative diagram of BSSG method along with the obtained...Figure 4.8 (a) Illustrative diagram of BG technique. Reproduced from [40] with permission...Figure 4.9 (a) Illustrative diagram of SE technique...

5 Chapter 5Figure 5.1 Typical lattice structure of a perovskite.Figure 5.2 Schematic illustration of characterization techniques for PSCs.Figure 5.3 GIXRD spectra (open cycle) around the (110) peaks for the r-perovskite...Figure 5.4 2D GIXRD profiles of perovskite films on...Figure 5.5 In situ XRD patterns. (a–d) Typical diffraction patterns of...Figure 5.6 In situ X-ray diffraction of perovskite annealing at...Figure 5.7 Schematic illustration of synchrotron-based X-ray scattering techniqu...Figure 5.8 Schematic of XAS including the pre-edge, XANES, and EXAFS regions...Figure 5.9 Measured and calculated XANES spectra of C K-edge of MAPbI3 film...Figure 5.10 Hypothesized process of forming a CH3I-PbI2 defect site...Figure 5.11 EXAFS spectra of CsPbBr3 (black) and CsPb0.93Cu0.07Br3 (red)...

6 Chapter 6Figure 6.1 Cubic geometry of perovskite oxide with the general formula of ABO3 t...Figure 6.2 Schematic presentation of cubic crystal of halide perovskite with the...Figure 6.3 PCE for PSCs from 2006 to 2020, data obtained from Best Research-Cell...Figure 6.4 Schematic presentation of solid-state device architecture of (a) mesoscopic regular n-i-p...Figure 6.5 Schematic presentation of (a) solid-state device, (b) cross-section structure...Figure 6.6 (a) Diffuse reflectance spectrum, (b) Transformed Kubelka-Munk spectrum...Figure 6.7 (a) XRD pattern of prepared CsPbI2Br perovskite film at different temperatures...Figure 6.8 (a) Cross-sectional SEM image of the CsPbI2Br perovskite film with HTL and ETL on FTO...Figure 6.9 (a) Crystal structure of MAPbI3 in distorted tetragonal phase...Figure 6.10 (a) XRD pattern and (b) crystal of MASnI3 perovskite film showing tetragonal conformation...

7 Chapter 7Scheme 7.1 Fundamental mechanism of semiconductor-mediated photocatalysis.Figure 7.1 Structure of perovskite with formula ABO3.Figure 7.2 (a) UV-Vis DRS spectra of BFO nanoparticles synthesized at 500°C showing absorption...Figure 7.3 PXRD pattern of La doped BFO (reproduced from ref. no. [105]).Figure 7.4 FESEM images of (a) pure BFO, (b–d) Sm (10%), and Co (5%, 10%, 15%) c...Figure 7.5 XPS spectra of (a) Bi 4f, (b) Fe 2p, (c) O 1s, and (d) Gd 4d of Gd do...Figure 7.6 (a) UV-Vis DRS spectra of Gd doped BFO with inset showing band gaps of pure and doped BFO...Figure 7.7 (a) RhB degradation efficiency of pure and Gd doped BFO (reproduced from ref. no. [109])...Scheme 7.2 Type I, type II, and type III semiconductor heterojunctions.Figure 7.8 (a) Pore diameters (b) TS-SPV responses of T/P-BFO and P-BFO (reprodu...Figure 7.9 (a) UV−vis DRS of BFO, CeO2, MCeO2, MCeO2−BFO...Figure 7.10 Mechanism for photodegradation of NFX over symmetric double Z-scheme...Figure 7.11 (i) Electrochemical impedance spectra of (a) BiFeO3 and...Figure 7.12 (a) Narrow S-shaped magnetic hysteresis loops of BFO...

8 Chapter 8Figure 8.1 Schematic illustration of a perovskite with the general chemical form...Figure 8.2 Periodic table showing different cations and oxygen used for A and B ...Figure 8.3 Synthesis of ZnTiO3 using self-assembly method [48].Figure 8.4 Mechanism for photocatalytic production of charge carrier at the surf...Figure 8.5 Presentation of designing, engineering of electronic band structure and absorption...Figure 8.6 (a) SEM image of hexagonal ZnTiO3 calcined at 800°C for 3 hours...Figure 8.7 TEM images of (a) pristine ZnTiO3, (b) 2% La-doped...Figure 8.8 The photocatalytic degradation of RhB dye in the presence of 2% La-do...Figure 8.9 (a and b) TEM and HR-TEM images of pristine ZnTiO3, (c) TEM image of ...Figure 8.10 Photocatalytic degradation of RhB dye at different calcined temperature in the presence...Figure 8.11 Photocatalytic degradation of CV in the presence of (a) pristine and (b) different...Figure 8.12 Photocatalytic degradation of RhB in the presence of (a) pristine and (b) different...

9 Chapter 9Figure 9.1 Pictorial representation of (a) Gustav Rose, discoverer (b) perovskit...Figure 9.2 Types of perovskites materials.Figure 9.3 Ideal structure of CaTiO3 (designed by materials project software).Figure 9.4 Orthorhombic GdFeO3-type structure when “t” is less than unity.Figure 9.5 BaTiO3 structure (drawn by Materials Project software).Figure 9.6 Showing three phases of BaTiO3 structure where O6 octahedra surrounde...Figure 9.7 The cobaltite GdBaCo2O5.5 has a perovskite related structure were Ba ...Figure 9.8 Structures of selected Dion-Jacobson perovskites (CsCa2Nb3O10).Figure 9.9 Structures of selected Ruddlesden-Popper perovskites (K2La2Ti3O10).Figure 9.10 Schematic representation of the structure of the Aurivillius compoun...Figure 9.11 Crystal structure of the n = 4 Aurivillius phase BaBi4Ti4O15.Figure 9.12 Schematic illustration of n = 1, 2, n = 2, 3 and n = 3, 4 mixed laye...

10 Chapter 10Figure 10.1 Crystal structures of (a) cubic, (b) tetragonal, and (c) orthorhombi...Figure 10.2 Crystal structures of (a) FAPbI3, (b) CsGeI3, and (c) CsPbBr3.Figure 10.3 (a) Fabrication process of perovskite solar cells. (b) Photograph an...Figure 10.4 (a) X-ray diffraction profiles of as-deposited and annealed thin films...Figure 10.5 (a) Cross-sectional transmission electron microscope image of perovskite solar cell...Figure 10.6 (a) HRTEM image and (b) (100)-projected cubic CH3NH3PbI3...Figure 10.7 (a) Model of interfacial structure. (b) Energy level diagram of perovskite solar cell...Figure 10.8 (a) Current density–voltage properties of the present devices...Figure 10.9 (a) X-ray diffraction profiles of CH3NH3PbI3-xClx. (b) Enlarged prof...Figure 10.10 (a) SEM image of CH3NH3PbI2.88Cl0.12 device. EDS mapping images of ...Figure 10.11 (a) External quantum efficiency and (b) internal quantum efficiency...Figure 10.12 (a) Photoconversion efficiencies of CH3NH3Pb1-xSbxI3 as a function of Sb concentration...Figure 10.13 (a) X-ray diffraction profiles of CH3NH3Pb1-xSbxI3 devices...Figure 10.14 Optical microscope images of (a) HC(NH2)2PbIBr2 and (d) HC(NH2)2Pb0...Figure 10.15 (a) Current density-voltage properties of SnBr2 or CsI addition to ...Figure 10.16 (a) Current density-voltage properties of MAPbI3(Cl) devices with a...Figure 10.17 Optical microscope images of CH3NH3PbI3(Cl) devices containing (a) ...Figure 10.18 (a) Scanning electron microscope image of the CH3NH3PbI3(Cl)...Figure 10.19 EDS profiles of the present devices.Figure 10.20 X-ray diffraction profiles of CH3NH3PbI3(Cl)...Figure 10.21 (a) Current density-voltage properties of the present devices...Figure 10.22 SEM images and elemental mapping images of (a) standard, (b) + CuCl...Figure 10.23 (a) Current density-voltage properties and (b) external quantum eff...Figure 10.24 (a) X-ray diffraction profiles and (b) optical microscope images of...Figure 10.25 Scanning electron microscope images and energy dispersive X-ray spe...Figure 10.26 (a) Schematic model showing the inclusion of potassium into the perovskite...Figure 10.27 (a) Structure of polysilanes. (b) Current density-voltage properties...Figure 10.28 Optical microscopy images of (a) CH3NH3PbI3 solar cells...Figure 10.29 (a), (c) Current density-voltage properties and (b), (d) EQE spectra...Figure 10.30 (a) Optical microscopy images and (b) SEM images with EDS mappings...Figure 10.31 X-ray diffraction profiles of (a) as-prepared MAPbI3/(DPPS) cells...Figure 10.32 Stability measurements of (a) η, (b) JSC, (c) VOC...Figure 10.33 (a) Schematic illustration of microstructures, carrier dynamics and stability...Figure 10.34 (a) Changes of current density-voltage properties of the...

Perovskite Materials for Energy and Environmental Applications

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