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Meeting Materials Science & Technology 2019
Symposium Hybrid Organic-Inorganic Materials for Alternative Energy
Presentation Title A First-principles Study on Improvement of Perovskite-based Solar Cell Materials
Author(s) Evan Wang, Xuan Luo
On-Site Speaker (Planned) Evan Wang
Abstract Scope Perovskite-based solar cell materials have attracted tremendous attentions in recent years due to their promising high energy conversion efficiency. However, during this stage of their development, there are key issues that delay commercialization, such as lead (Pb) toxicity, long-term instability, and vulnerability to structure defect and temperature changes, and many more. In this paper, first-principles are applied to analyze and optimize the electronic structure of perovskite materials with formula ABX3 by replacing the B atom- where Pb originally sits- with other nontoxic elements. The calculations of the charge densities of molecules are performed with the ABINIT software. As a result, several promising perovskite-based solar cell materials with suitable band gaps for photovoltaic productions are presented. These findings enrich the search for a suitable perovskite material to eliminate the need for toxic Pb in perovskite solar cells.
Proceedings Inclusion? Definite: At-meeting proceedings


A First-principles Study on Improvement of Perovskite-based Solar Cell Materials
Blister Formation and the Degradation of Organic Light Emitting Devices
Composition-dependent Properties of Point Defects in Halide Perovskite: An ab Initio Study
Effect of Thermal Annealing and Pressure Enhancement of the Efficiency of Bulk Heterojunction Organic Solar Cells
Effects of Pressure on the Photoconversion Efficiencies of Perovskite Solar Cells
Fabrication and Characterization of Metal Oxide Based Hybrid Materials for High Power Energy Storage
Facile Fabrication of Fe Oxide Negative Electrode for Fe-air Battery Application
Functional Organic-inorganic Hybrids and Inorganic Nanostructures Generated by Infiltration Synthesis
Impacts of Nanostructures and Interfaces on Perovskite Solar Cell Performance
In Situ Transient Absorption Spectroscopy of Organometal Halide Perovskite Nanoparticles
Inorganic-organic Hybrid Materials for Polymer Electrolyte and Alkaline Fuel Cells
Interactions between Electrocatalyst, Carbon, and Electrolyte during Oxygen Electrocatalysis
Metal-organic Frameworks for Electrochemical Energy Storage Applications
P3-59: Liquid Phase Synthesized BaTiO3-CoFe2O4 Multiferroics Nanocomposites
P3-60: Low-temperature Synthesis and Ionic Conductivity Studies of Ceria-carbonate Nanocomposite Electrolytes for Low Temperature SOFCs
P3-61: NIR Annealing Treatment for Perovskite Films to Improve Solar Cells Performance
Preparation of Hybrid Nanomaterials and Nanostructured Thin Films using Microreactor-assisted Nanomaterial Synthesis and Deposition Process
Probing Electronic Stability in Hybrid Halide Perovskites
Probing Interfacial Reactions in Energy Storage and Conversion Devices Using Synchrotron X-ray Techniques
Property Forecasting to Accelerate Computational Design of Kinematically Active Multifunctional MOFs for Energy Applications
Responsive Wrinkles on Hybrid Gels/Hydrogels for Micro Soft Actuators
Self-assembled Amphiphilic Block Copolymers/CdTe Nanocrystals for Efficient Aqueous-Processed Hybrid Solar Cells
The Viability of Hybrid Organic-inorganic Perovskites in Solar Energy Harvesting
Theoretical Modelling of Hydrogen Storage in Graphene-based Electrode Material in a Novel Proton Battery
Understanding Photophysics of Organic Materials: Towards Stable and Sustainable Materials for (Opto)Electronics

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