Ab Initio Study of Octane Moiety Adsorption on H- and Cl-Functionalized Silicon Nanowires

Engineering & Materials Science

• Nanowires 100%
• Adsorption 78%
• Electronic properties 74%
• Silicon 63%
• Valence bands 29%
• Conduction bands 27%
• Density functional theory 24%
• Electronic structure 23%
• Band structure 22%
• Charge transfer 20%
• Passivation 19%
• Electron energy levels 18%
• Energy gap 18%
• Molecules 15%
• Oxidation 14%

Chemical Compounds

• Octane 84%
• Nanowire 69%
• Electronic Property 39%
• Adsorption 39%
• Valence Band 17%
• Conduction Band 17%
• Chemical Passivation 16%
• Electronic Band Structure 16%
• Energy 15%
• Band Gap 12%
• Electronic State 11%
• Charge Transfer 11%
• Surface 10%
• Density Functional Theory 10%
• Modification 9%
• Oxidation Reaction 7%
• Molecule 5%