Details

Autor(en) / Beteiligte

• Peña-Alvarez, Miriam
• Hu, Huixin
• Marqués, Miriam
• Cooke, Peter I. C
• Donnelly, Mary-Ellen
• Binns, Jack
• Gorelli, Federico A
• Gregoryanz, Eugene
• Dalladay-Simpson, Philip
• Ackland, Graeme J
• Howie, Ross T

Titel

Pressure-Induced Synthesis and Properties of an H2S–H2Se–H2 Molecular Alloy

Ist Teil von

• The journal of physical chemistry letters, 2021-06, Vol.12 (24), p.5738-5743

Ort / Verlag

American Chemical Society

Erscheinungsjahr

2021

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The chalcogens are known to react with one another to form interchalcogens, which exhibit a diverse range of bonding and conductive behavior due to the difference in electronegativity between the group members. Through a series of high-pressure diamond anvil experiments combined with density functional theory calculations, we report the synthesis of an S–Se hydride. At pressures above 4 GPa we observe the formation of a single solid composed of both H2Se and H2S molecular units. Further compression in a hydrogen medium leads to the formation of an alloyed compound (H2S x Se1–x )2H2, after which there is a sequence of pressure-induced phase transitions associated with the arrested rotation of molecules. At pressures above 50 GPa, there is a symmetrization of hydrogen bonds concomitantly with a closing band gap and increased reflectivity of the compound, indicative of a transition to a metallic state.