Electronic Structures of Monolayer Binary and Ternary 2D Materials: MoS₂, WS₂, Mo_1−xCr_xS₂, and W_1−xCr_xS₂ Using Density Functional Theory Calculations

Engineering & Materials Science

• Density functional theory 100%
• Electronic structure 99%
• Monolayers 87%
• Chromium 42%
• Energy gap 30%
• Chalcogenides 21%
• Transition metals 19%
• Band structure 18%
• Nanoelectronics 18%
• Charge transfer 17%
• Molybdenum 15%
• Optoelectronic devices 15%
• Tungsten 14%
• Electric properties 14%
• Atoms 13%

Chemical Compounds

• Monolayer 50%
• Electronic State 49%
• Density Functional Theory 41%
• Band Gap 33%
• Chromium Atom 33%
• Tungsten Disulfide 33%
• Molybdenum Disulfide 26%
• Work Function 25%
• Density of State 23%
• Electronic Band Structure 22%
• Optoelectronics 20%
• Electrical Property 18%
• Transition Element 16%
• Charge Transfer 15%