Role of dispersive interactions in determining structural properties of organic-inorganic halide perovskites: Insights from first-principles calculations

Keyphrases

• Structural Properties 100%
• Organic-inorganic Perovskite 100%
• Spin-orbit Coupling 100%
• First-principles Calculations 100%
• Organic-inorganic Halide Perovskite 100%
• Dispersive Interactions 100%
• Halides 50%
• Van Der Waals Interaction 50%
• Dispersive Effects 50%
• Density Functional Theory 50%
• Lead Halide Perovskites 50%
• Cohesion 50%
• Photovoltaic Properties 50%
• Lattice Parameter 50%
• Lead Halides 50%
• Coupling Interaction 50%
• Semiconducting Properties 50%
• Crystal Binding 50%
• Hydrogen Bonds (H-bonds) 50%
• Interaction Type 50%

Chemistry

• First Principle 100%
• Halide 100%
• Spin-Orbit Coupling 50%
• Hydrogen Bonding 25%
• Lattice Parameter 25%
• Van Der Waals Force 25%
• Photovoltaic Effect 25%
• Lattice Constant 25%
• Density Functional Theory 25%

Material Science

• Halide 100%
• Structural Property 100%
• Density 25%
• Photovoltaics 25%
• Hydrogen Bonding 25%
• Lattice Constant 25%