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致密硒氢体系中意外的化合物重整

Unexpected compound reformation in the dense selenium-hydrogen system.

作者信息

Hu Huixin, Kuzovnikov Mikhail A, Shuttleworth Hannah A, Marqueño Tomas, Yan Jinwei, Osmond Israel, Gorelli Federico A, Gregoryanz Eugene, Dalladay-Simpson Philip, Ackland Graeme J, Peña-Alvarez Miriam, Howie Ross T

机构信息

Center for High Pressure Science and Technology Advanced Research, Shanghai, China.

School of Physics and Astronomy, Centre for Science at Extreme Conditions, University of Edinburgh, Edinburgh, UK.

出版信息

Commun Mater. 2025;6(1):193. doi: 10.1038/s43246-025-00899-9. Epub 2025 Aug 21.

Abstract

The HSe molecule and the van der Waals compound (HSe)H are both unstable upon room temperature compression, dissociating into their constituent elements above 22 GPa. Through a series of high pressure-high temperature diamond anvil cell experiments, we report the unexpected formation of a novel compound, SeH(H) at pressures above 94 GPa. X-ray diffraction reveals the metallic sublattice to adopt a tetragonal (4/ ) structure with density functional theory calculations finding a small distortion due to the orientation of H molecules. The structure comprises of a network of zig-zag H-Se chains with quasi-molecular H molecular units hosted in the prismatic Se interstices. Electrical resistance measurements demonstrate that SeH(H) is non-metallic up to pressures of 148 GPa. Investigations into the Te-H system up to pressures of 165 GPa and 2000 K yielded no compound formation. The combined results suggest that the high pressure phase behavior of each chalcogen hydride is unique and more complex than previously thought.

摘要

HSe分子和范德华化合物(HSe)H在室温压缩下均不稳定,在22吉帕以上会分解为其组成元素。通过一系列高压-高温金刚石对顶砧实验,我们报告了在94吉帕以上压力下意外形成的一种新型化合物SeH(H)。X射线衍射显示金属亚晶格采用四方(4/ )结构,密度泛函理论计算发现由于H分子的取向存在小的畸变。该结构由锯齿状H-Se链网络组成,棱柱形Se间隙中存在准分子H分子单元。电阻测量表明,SeH(H)在高达148吉帕的压力下是非金属的。对Te-H系统在高达165吉帕和2000 K的压力下进行的研究未产生化合物形成。综合结果表明,每种硫族氢化物的高压相行为是独特的,且比之前认为的更为复杂。

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