论文标题
高压氢化物中的金属氢和质子迁移率
Metallic Hydrogen Sublattice and Proton Mobility in Copper Hydride at High Pressure
论文作者
论文摘要
通过高压NMR光谱，X射线衍射和AB-Initio计算，已经研究了CU2H和CUH的原子和电子结构。金属CU2H的压力为40 GPA，在90 GPa的半金属中合成，发现稳定稳定至160 GPa。实验和计算表明形成了金属1H插座以及Cu2H中〜10-7 cm2/s的高1H迁移率。 CU2H和FEH数据的比较表明，Fermi气体行为，导电氢网络的形成以及高1H迁移率可能是金属氢化物的常见特征。
Atomic and electronic structures of Cu2H and CuH have been investigated by high pressure NMR spectroscopy, X-ray diffraction and ab-initio calculations. Metallic Cu2H was synthesized at a pressure of 40 GPa, and semi-metallic CuH at 90 GPa, found stable up to 160 GPa. Experiments and computations suggest the formation of a metallic 1H-sublattice as well as a high 1H mobility of ~10-7 cm2/s in Cu2H. Comparison of Cu2H and FeH data suggests that deviations from Fermi gas behavior, formation of conductive hydrogen networks, and high 1H mobility could be common features of metal hydrides.
