论文标题
水冰压缩:原理和应用
Water Ice Compression: Principles and Applications
论文作者
论文摘要
氧气排斥反对压缩最小化可压缩性。极化通过在费米能量上方提高非键状态来扩大水冰的带隙和介电介电常数。进步证明了耦合的氢键和电子动力学在揭示水冰的核心物理和化学方面的效率和本质,这些核心物理和化学可以扩展到其他分子晶体,例如能量材料。
The inter oxygen repulsion opposes compression minimizing the compressibility. Polarization enlarges the bandgap and the dielectric permittivity of water ice by raising the nonbonding states above the Fermi energy. Progress evidences the efficiency and essentiality of the coupled hydrogen bonding and electronic dynamics in revealing the core physics and chemistry of water ice, which could extend to other molecular crystals such as energetic materials.