Insights into vibrational and electronic properties of (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) chemical bonding with (CuO)_n clusters: a DFT study

Ingeniería y ciencia de los materiales

• Butyric acid 100%
• Electronic properties 91%
• Density functional theory 87%
• Chemical bonds 65%
• Esters 64%
• Adsorption 28%
• Energy gap 16%
• Atoms 15%

Física y astronomía

• butyric acid 76%
• esters 67%
• phenyls 64%
• chemical bonds 50%
• density functional theory 45%
• orbitals 31%
• electronics 30%
• adsorption 22%
• augmentation 8%
• atoms 7%

Química

• Methyl Ester 51%
• Electronic Property 48%
• Chemical Bond 42%
• Molecular Cluster 38%
• Orbital 36%
• Acid 20%
• Raman Intensity 18%
• Normal Modes 16%
• Band Gap 11%
• Density Functional Theory 9%
• Reduction 6%