Potassium-exchanged natrolite under pressure. computational study vs experiment

Keyphrases

• Overpressure 100%
• Rotation Angle 100%
• Potassium 100%
• Computational Study 100%
• Natrolite 100%
• Axis Orientation 40%
• Pressure Range 40%
• Moderate Pressure 40%
• Phase Transition 20%
• Compact Structure 20%
• Pressure Effect 20%
• Structural Phase Transition 20%
• Density Functional Theory 20%
• Si-based 20%
• Computational Results 20%
• Energy Profile 20%
• Barrier Height 20%
• Critical Pressure 20%
• K+ Ion 20%
• Modeling Results 20%

Chemistry

• Potassium 100%
• Natrolite 100%
• Energetics 33%
• Potassium Ion 33%
• Structural Phase Transition 33%
• Critical Pressure 33%
• Potassium Ion 33%
• Density Functional Theory 33%