Work function modulation of monolayer MOS₂ doped with 3d transition metals

Keyphrases

• Molybdenite 100%
• Work Function Modulation 100%
• 3d Transition Metal 100%
• Work Function 33%
• Adatoms 33%
• Supercells 33%
• Graphene 16%
• Electrostatic Potential 16%
• Banded Structure 16%
• Density of States 16%
• Light-emitting Diodes 16%
• Semiconductor Industry 16%
• Energy Difference 16%
• Total Energy 16%
• Band Gap 16%
• Density Functional Theory 16%
• Monolayer Molybdenum Disulfide 16%
• Molybdenum Disulfide MoS2 16%
• Magnetic Properties 16%
• Ambient Environment 16%
• Valence Electrons 16%
• Surface Energy 16%
• Optoelectronic Applications 16%
• Direct Band Gap 16%
• Kinetic Energy 16%
• Brillouin Zone 16%
• Theory Framework 16%
• Vienna Ab Initio Simulation Package 16%
• Two Dimensional Materials 16%
• K-points 16%
• Packing Algorithm 16%
• Structural Optimization 16%
• Convergence Condition 16%
• Equilibrium Structure 16%
• Vacuum Space 16%
• Correction Functional 16%
• Dipole Corrections 16%
• Contact Electrification 16%

Material Science

• Monolayers 100%
• Density 100%
• Transition Metal 100%
• Graphene 50%
• Light-Emitting Diode 50%
• Molybdenum 50%
• Two-Dimensional Material 50%
• Magnetic Property 50%
• Ab Initio Simulation 50%
• Surface (Surface Science) 50%