Pressure-induced superconducting CS2H10 with an H3S framework
Literature Information
Mingyang Du, Zihan Zhang, Defang Duan
The discovery of the high-temperature superconducting state in the compounds of hydrogen, carbon and sulfur with a critical temperature (Tc) of 288 K at high pressure is an important milestone towards room-temperature superconductors. Here, we have extensively investigated the high-pressure phases of CS2H10, and found four phases Cmc21, P3m1, Pm1 and Pm. Among them, P3m1 can be dynamically stable at a pressure as low as 50 GPa, and Cmc21 has a high Tc of 155 K at 150 GPa. Both Cmc21 and P3m1 are host–guest hydrides, in which CH4 molecules are inserted into Imm-H3S and R3m-H3S sublattices, respectively. Their Tc is dominated by the H3S lattice inside. The insertion of CH4 molecules greatly reduces the pressure required for the stability of the original H3S lattice, but it has a negative impact on superconductivity which cannot be ignored. By studying the effect of CH4 insertion in the H3S lattice, we can design hydrides with a Tc close to that of H3S and a greatly reduced pressure required for stability.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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