Identifying Charge Transfer Mechanisms across Semiconductor Heterostructures via Surface Dipole Modulation and Multiscale Modeling

Keyphrases

• Multiscale Modeling 100%
• Charge Transport 100%
• Charge Transfer Mechanism 100%
• Semiconductor Heterostructures 100%
• Surface Dipole 100%
• Device Modeling 66%
• Si(111) 66%
• Thermionic Emission 66%
• Rutile 66%
• Intraband Tunneling 66%
• Hole Transport 66%
• N-Si 66%
• Semiconductors 33%
• Triethylene Glycol 33%
• X-ray Photoelectron Spectroscopy 33%
• Methyl 33%
• Density Functional Theory 33%
• Predictive Ability 33%
• Methoxy 33%
• Voltammetry 33%
• Finite Element 33%
• Heterojunction 33%
• Computational Approach 33%
• Modeling Approach 33%
• Redox Couple 33%
• Bulk Properties 33%
• First-principles Density Functional Theory 33%
• TiO2 Film 33%
• Aryl 33%
• Non-aqueous 33%
• Interfacial Properties 33%
• Semiconducting Layer 33%
• Passivation 33%
• Photoanode 33%
• Solution Potential 33%
• Molecular Dipole 33%
• TiO2 Photoanode 33%
• Multifunctional Structures 33%
• Catalytic Layer 33%
• Protecting Layer 33%
• Ferrocence 33%
• Photoelectrochemical Devices 33%

Physics

• Density Functional Theory 100%
• Thermionic Emission 100%
• Photoanode 100%
• X Ray Spectroscopy 50%
• First-Principles 50%
• Heterojunctions 50%
• Theoretical Model 50%
• Finite Element Method 50%
• Interface Property 50%

Material Science

• Heterojunction 100%
• Titanium Dioxide 100%
• Density 50%
• Device Modeling 50%
• Finite Element Method 25%
• Monolayers 25%
• Film 25%
• X-Ray Photoelectron Spectroscopy 25%
• Voltammetry 25%
• Interface Property 25%