First-principles studies of phase stability and crystal structures in Li-Zn mixed-metal borohydrides

Engineering & Materials Science

• Phase stability 94%
• Crystal structure 84%
• Density functional theory 65%
• Decomposition 47%
• Metals 42%
• Neutron diffraction 31%
• Linear programming 20%
• Thermodynamics 18%
• Dehydrogenation 15%
• Borides 15%
• Hydrides 13%
• Thermodynamic stability 11%
• X rays 9%

Physics & Astronomy

• borohydrides 100%
• crystal structure 51%
• decomposition 49%
• density functional theory 33%
• metals 33%
• linear programming 33%
• thermodynamics 22%
• neutron diffraction 20%
• dehydrogenation 14%
• borides 13%
• hydrides 11%
• tendencies 9%
• products 7%

Chemical Compounds

• Phase Stability 79%
• Borohydride 74%
• Decomposition 42%
• Crystal Structure 32%
• Neutron Diffraction 22%
• Density Functional Theory 20%
• Thermodynamics 20%
• Calculation Method 11%
• Dehydrogenation 10%
• Hydride 9%