High-throughput functionalization of single-layer electride Ca₂N

Engineering & Materials Science

• Adsorption 61%
• Throughput 43%
• Electronegativity 36%
• Atoms 32%
• Charge transfer 26%
• Adsorbates 15%
• Density functional theory 15%
• Electronic structure 15%
• Fluorine 14%
• Electrons 10%
• Oxygen 8%
• Geometry 6%

Chemical Compounds

• Electride 100%
• Adsorption Energy 65%
• Electronegativity 22%
• Charge Transfer 14%
• Fluorine Atom 9%
• Oxygen Atom 8%
• Electronic State 7%
• Density Functional Theory 6%
• Electron Particle 5%
• Application 3%