The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory

Chemistry

• Arene 15%
• Carbon Atom 26%
• CCSD 20%
• Circumpyrene 42%
• Crystal Defect 22%
• Crystal Vacancy 53%
• Density Functional Theory 35%
• Electronic State 28%
• Energy 26%
• Excited State 15%
• Graphene 40%
• Ground State 15%
• Orbital 15%
• Pyrene 37%
• Singlet State 22%
• Triplet Ground State 26%
• Triplet State 19%

Medicine & Life Sciences

• Carbon 56%
• Density Functional Theory 100%
• Graphite 78%
• Molecular Models 37%
• Polycyclic Aromatic Hydrocarbons 36%
• pyrene 82%

Physics & Astronomy

• atomic energy levels 10%
• carbon 38%
• characterization 31%
• defects 31%
• density functional theory 43%
• electronics 29%
• energy 8%
• excitation 4%
• functionals 8%
• graphene 46%
• ground state 12%
• orbitals 6%
• polycyclic aromatic hydrocarbons 11%
• pyrenes 25%
• rigidity 9%