Intro
Preface
Contents
Energy, Materials and Environment
Theory and Computation in Photo-Electro-Chemical Catalysis: Highlights, Challenges, and Prospects
1 Introduction
2 Photo-Electro-Chemical Catalysis and the Role of Computation
2.1 Fundamental Science Concepts for Photo-Electro-Chemical Conversions
2.2 Fundamental Challenges in Photo-Electro-Chemical Conversions
2.3 Computation and Simulation for Photo-Electro-Chemical Catalysis
3 Computation and Modeling of Carrier Structure, Dynamics, and Utilization
3.1 Overview of Our Multiscale Modeling Framework

3.2 Mesoscale Modeling in Photo-Electro-Catalysis
3.3 Highlights
4 Challenges in Computation and Modeling in Photo-Electro-Catalysis
4.1 Challenge to DFT: Accurate and Reliable Functionals for Polarons and Excitons
4.2 Exciton Structure and Dynamics: Cross-Validation of Theory and Experiment.
5 Conclusion and Outlook
References
Emerging Metal-Halide Perovskite Materials for Enhanced Solar Cells and Light-Emitting Applications
1 Introduction
2 Emerging Metal-Halide Perovskite Structures
2.1 Homovalent Elements
2.2 Heterovalent Elements

3 Synthesis Protocol for Emerging Metal-Halide Perovskites
3.1 One-Step Deposition
3.2 Two-Step Deposition
3.3 Solvent-Engineering
4 Opportunities in Optoelectronic Technologies
4.1 Applications as Light Emitters
4.2 Applications as Solar Cells
5 Conclusions and Outlook
References
SrTi1-xSnxO3 Thin Films as Photocatalysts for Organic Dye Degradation: Influence of the Composition, Deposition Method, and Growth Orientation
1 Introduction
2 Experimental Details
3 Results

3.1 Influence of the Thin Film Composition and Deposition Method on the Photocatalytic Activity
3.2 Influence of the Thin Film Growth
4 Conclusions
References
SrSnO3 Applied in the Reduction of NO by CO: Influence of Transition Metal Doping on the Catalytic Activity
1 Introduction
1.1 Catalytic Abatement of NO
1.2 ASnO3 Perovskites
1.3 Perovskites Applied in the Reduction of NO by CO
2 Materials and Methods
2.1 Reagents
2.2 Modified Pechini Method
2.3 Characterization of the Catalysts
2.4 Catalytic Activity
3 Results and Discussion

3.1 Influence of Doping on the Catalytic Activity of SrSnO3: Me (Me: Fe, Ni, Cu)
3.2 Influence of the Synthesis Procedure on the Catalytic Results of SrSnO3: Fe
3.3 Influence of the Dopant Amount on the Catalytic Properties of SrSnO3: Cu
4 Conclusions
References
Advances in the Synthesis and Applications of Self-Activated Fluorescent Nano- and Micro-Hydroxyapatite
1 Introduction and General Concepts
2 Crystallographic Structure of HA
3 Synthesis of Luminescent HA
3.1 Chemical Precipitation
3.2 Synthesis from Natural Bio-Resources