Polytypism in Hexagonal Tungsten Trioxide: Insights from Ab Initio Molecular Dynamics Simulations

Chemistry

• Molecular Dynamics 100%
• Band Gap 50%
• Finite-Temperature 50%
• Structure 50%
• Analytical Method 50%
• Energy 50%
• Density Functional Theory 25%
• Electronic State 25%
• Tungsten 25%
• Radial Distribution Function 25%
• Polytypism 25%
• Reaction Temperature 25%

Physics

• Ambient Temperature 50%
• Diffraction Pattern 25%
• Density Functional Theory 25%
• Electronic Structure 25%
• Tungsten 25%
• Temperature 25%
• High Temperature 25%
• Calculation 25%

Material Science

• X-Ray Diffraction 75%
• Structural Property 25%
• Microstructural Evolution 25%
• Pair Distribution Function Analysis 25%
• Electronics 25%