钯
氢化钯
氢
化学计量学
氘
氢化物
动力学同位素效应
从头算量子化学方法
化学
焓
从头算
金刚石顶砧
晶格常数
物理化学
分析化学(期刊)
材料科学
结晶学
无机化学
热力学
衍射
原子物理学
催化作用
生物化学
物理
有机化学
色谱法
高压
分子
光学
作者
Bastien Guigue,Grégory Geneste,Brigitte Léridon,Paul Loubeyre
摘要
The stable forms of palladium hydrides up to 100GPa were investigated using the direct reaction of palladium with hydrogen (deuterium) in a laser-heated diamond anvil cell. The structure and volume of PdH(D)x were measured using synchrotron x-ray diffraction. The Pd atoms remain on a fcc lattice. The stoichiometry of the hydride is inferred from the volume expansion due to the hydrogen solubility in the Pd lattice. No evidence for hydrogen to palladium ratio greater than 1 is observed for both isotopes. An inverse isotope effect on the formation enthalpy of the stoichiometric Pd hydride is disclosed by measuring the equilibrium formation pressure of PdH and of PdD, 1.9GPa and 2.7GPa, respectively. An isotopic shift between the compression curves of PdH and of PdD is also measured, in good agreement with ab initio calculations quantifying the contribution of the hydrogen zero-point vibrational energy.
科研通智能强力驱动
Strongly Powered by AbleSci AI