Pressure-induced decomposition of solid hydrogen sulfide

By D. Duan, Xiaoli Huang, F. Tian, Da Li, Hongyu, Yu, Yunxian Liu, Yanbin Ma, Bingbing Liu, T. Cui. 2015

196 citations recorded by the source corpus.

Solid hydrogen sulfide is well known as a typical molecular crystal but its stability under pressure is still under debate. Particularly, Eremets et al. found the high pressure superconductivity with $T_{c}\approx$ 190 K in a H$_{2}$S sample [arXiv: 1412.0460 (2014)] which is associates with the elemental decomposition into H$_{3}$S [Sci. Rep. 4, 6968 (2014)]. Therefore, on what pressure H$_{2}$S can decompose and which kind of the products of decomposition urgent need to be solved. In this paper, we have performed an extensive structural study on different stoichiometries H$_{n}$S with ${n> 1}$ under high pressure using $ab$ $initio$ calculations. Our results show that H$_{2}$S is stable below 50 GPa and decomposes into H$_3$S and sulfur at high pressure, while H$_{3}$S is stable at least up to 300 GPa. The other hydrogen-rich H$_{4}$S, H$_{5}$S, and H$_{6}$S are unstable in the pressure range from 20 to 300 GPa.

Subfields: Atomic and Molecular Physics, and Optics, Geophysics, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/966ef24266c1e0aec69d2882942696259f6551cb

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. J. A. Flores-Livas
2. Ryotaro Arita
3. M. Eremets
4. G. Profeta
5. A. Sanna
6. L. Boeri

In Geophysics

1. J. A. Flores-Livas
2. I. Troyan
3. Ryotaro Arita
4. M. Eremets
5. A. Drozdov
6. G. Profeta
7. A. Sanna
8. L. Boeri

Citations in the corpus

• A perspective on conventional high-temperature superconductors at high pressure: Methods and materials (2019, methodology): “Interestingly the calculated [161, 309, 173, 209] Tc for the Im3̄m structure at 200 GPa is ≈ 200 K, making it a strong candidate to be the high-Tc phase observed in the experiments.”
• Conventional superconductivity at 190 K at high pressures (2014, methodology): “Calculations [10] supported this hypothesis: H3S has been found stable at P>50 GPa.”
• Structure and superconductivity of hydrides at high pressures (2017, methodology): “In addition, we performed the high-pressure stability of different stoichiometric HnS (n>1) using ab initio calculations [18] and determined two main ways to form H3S crystal: 3H2S→2H3S+S,2H2S+H2→2H3S, as depicted in Fig.”