A5064328651- Inorganic Fluorides and Related Compounds
- High-pressure geophysics and materials
- Luminescence Properties of Advanced Materials
- Hydrogen Storage and Materials
- Boron and Carbon Nanomaterials Research
- Superconductivity in MgB2 and Alloys
- Inorganic Chemistry and Materials
State Key Laboratory of Superhard Materials
2021-2022
Jilin University
2021-2022
All elements that form diatomic molecules, such as ${\mathrm{H}}_{2}$, ${\mathrm{N}}_{2}$, ${\mathrm{O}}_{2}$, ${\mathrm{Cl}}_{2}$, ${\mathrm{Br}}_{2}$, and ${\mathrm{I}}_{2}$, are destined to become atomic solids under sufficiently high pressure. However, revealed by many experimental theoretical studies, these show very different propensity transition paths due the balance of reduced volume, lone pair electrons, interatomic bonds. The study F pressure can illuminate this intricate behavior...
Pressure has an important effect on chemical bonds and their properties. The atypical compounds NaCl 3 CsF are predicted to be stable at high pressure show unique physical By using ab initio random structure searching density functional theory calculations, we multiple thermodynamically compounds, which RbF 2 , 4 5 in the range of 0–300 GPa. In these homonuclear bondings F species easily formed. electron calculation showed that except for Fd- m phase insulators 5p orbitals play role Fermi...