Computational search for single-layer transition-metal dichalcogenide photocatalysts

Engineering & Materials Science

• Photocatalysts 100%
• Transition metals 96%
• Energy gap 49%
• Metalloids 40%
• Valence bands 39%
• Semiconductor materials 38%
• Conduction bands 37%
• Water 35%
• Solvation 35%
• Exfoliation (materials science) 34%
• Electronic properties 33%
• Density functional theory 32%
• Band structure 30%
• Oxidation-Reduction 28%
• Enthalpy 22%

Chemical Compounds

• Transition Element 47%
• Quasiparticle 34%
• Solvation Enthalpy 34%
• Semiconductor 33%
• Band Gap 33%
• Energy 31%
• Valence Band 24%
• Conduction Band 23%
• Electronic Band Structure 22%
• Redox Potential 21%
• Electronic Property 18%
• Dimension 16%
• Aqueous Solution 11%
• Application 6%

Physics & Astronomy

• transition metals 54%
• water splitting 41%
• energy of formation 34%
• metalloids 18%
• solvation 18%
• electronics 17%
• functionals 15%
• aqueous solutions 15%
• enthalpy 14%
• conduction bands 14%
• valence 12%
• water 9%
• approximation 8%
• energy 4%