Density functional study of graphite bulk and surface properties

Engineering & Materials Science

• Surface properties 100%
• Graphite 99%
• Electron affinity 65%
• Valence bands 60%
• Conduction bands 57%
• Electronic properties 51%
• Density functional theory 50%
• Electronic structure 49%
• Band structure 46%
• Interfacial energy 41%
• Structural properties 36%
• Enthalpy 34%
• Relaxation 31%
• Geometry 20%

Chemical Compounds

• Work Function 77%
• Graphite 73%
• Density Functional Theory 62%
• Brillouin Zone 52%
• Valence Band 37%
• Conduction Band 36%
• Electronic Band Structure 33%
• Interfacial Energy 33%
• Surface 32%
• Electronic Property 27%
• Enthalpy 26%
• Electronic State 24%