Evaluating transition metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications

Engineering & Materials Science

• Transition metal oxides 100%
• Discrete Fourier transforms 63%
• Ground state 52%
• Electronic structure 51%
• Oxides 49%
• Enthalpy 35%
• Lattice constants 34%
• Transition metals 34%
• Oxidation 30%
• Electronic properties 18%
• Density functional theory 17%
• Polymorphism 14%
• Rare earths 14%
• Electrons 11%
• Molecules 11%
• Experiments 8%

Chemical Compounds

• Oxidation Enthalpy 56%
• Ground State 34%
• Electronic State 32%
• Oxide 31%
• Transition Element 21%
• Application 18%
• Structure Parameter 18%
• Bond Energy 16%
• Lattice Constant 16%
• Lattice Parameter 14%
• Enthalpy of Formation 13%
• Electronic Property 12%
• Fuel 11%
• Reaction Yield 11%
• Lanthanoid Atom 10%
• Error 10%
• Density Functional Theory 9%
• Electron Particle 7%
• Oxidation Reaction 6%
• Molecule 5%

Physics & Astronomy

• metal oxides 56%
• transition metals 48%
• oxides 36%
• enthalpy 31%
• electronic structure 26%
• oxidation 25%
• ground state 23%
• ingredients 12%
• functionals 10%
• lattice parameters 10%
• rare earth elements 10%
• density functional theory 8%
• reactors 8%
• molecules 6%
• approximation 6%
• electronics 6%
• electrons 4%
• interactions 4%
• energy 3%