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Updated: Sep 15, 2025

High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions
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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

Published on: October 10, 2014

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在压力下预测新型硫化合物

Reza Shahsavari1,2, Sylvain Pitié1, Somayeh Faraji1

  • 1Applied Quantum Chemistry Group, E4 team, IC2MP UMR 7285, Université de Poitiers - CNRS, 4, rue Michel Brunet TSA 51106-86073, Poitiers, France. gilles.frapper@univ-poitiers.fr.

Physical chemistry chemical physics : PCCP
|July 16, 2025
PubMed
概括

研究人员使用进化算法和随机结构搜索在高压下预测了新的硫晶体结构. 发现了11个新的阶段,包括稳定的绝缘和金属材料,推进了高压材料科学.

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Phase Diagrams

A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
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Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.
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The partial pressure of a gas is a measure of the thermodynamic activity of the gas's molecules. The pressure that a gas would create if it occupied the total volume available is called the gas's partial pressure. If two or more gases are mixed together in a container, the molecules move randomly and collide with each other, causing them to reach thermal equilibrium. When the gases have the same temperature, their molecules have the same average kinetic energy. Thus, each gas obeys the...
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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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