DFT study of the oxidation of Hg⁰ by O₂ on an Mn-doped buckled g-C₃N₄ catalyst

Chemical Compounds

• Flue Gas Desulfurization 100%
• Elemental Mercury 94%
• Oxidant Agent 76%
• Water Insoluble 75%
• Density of State 72%
• Energy Barrier 64%
• Water Soluble 51%
• Electronic State 49%
• Density Functional Theory 41%
• Adsorption 32%
• Energy 31%
• Oxidation Reaction 30%
• Catalyst 27%
• Surface 21%

Engineering & Materials Science

• Discrete Fourier transforms 73%
• Atoms 69%
• Oxidation 59%
• Catalysts 56%
• Energy barriers 51%
• Density functional theory 50%
• Electronic structure 49%
• Desulfurization 39%
• Water 36%
• Flue gases 35%
• Adsorption 32%
• Coal 27%
• Geometry 20%

Physics & Astronomy

• catalysts 62%
• oxidation 49%
• flue gases 45%
• water 38%
• affinity 37%
• coal 36%
• atoms 33%
• flux density 26%
• density functional theory 25%
• adsorption 25%
• electronic structure 25%
• geometry 18%
• energy 9%