Finite temperature stability of single-layer black and blue phosphorus adsorbed on Au(1 1 1): A first-principles study

Engineering & Materials Science

• Black Phosphorus 100%
• Density functional theory 51%
• Substrates 36%
• Atoms 36%
• Thermal effects 35%
• Phonons 27%
• Temperature 20%
• Free energy 20%
• Structural properties 18%
• Gold 18%
• Phase transitions 18%
• Costs 6%

Physics & Astronomy

• phosphorus 50%
• temperature effects 31%
• density functional theory 26%
• atoms 17%
• temperature 15%
• free energy 14%
• gold 13%
• costs 13%
• shear 11%
• phonons 11%
• evaluation 10%
• room temperature 9%
• energy 5%

Chemical Compounds

• Black 46%
• Phosphorus(.) 43%
• Blue 37%
• Helmholtz Free Energy 28%
• Density Functional Theory 21%
• Phonon 19%
• Shear 15%
• Ambient Reaction Temperature 9%
• Energy 8%