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Related Concept Videos

Weak Acid Solutions04:02

Weak Acid Solutions

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Few compounds act as strong acids. A far greater number of compounds behave as weak acids and only partially react with water, leaving a large majority of dissolved molecules in their original form and generating a relatively small amount of hydronium ions. Weak acids are commonly encountered in nature, being the substances partly responsible for the tangy taste of citrus fruits, the stinging sensation of insect bites, and the unpleasant smells associated with body odor. A familiar example of a...
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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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Phase Diagrams

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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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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Phase Changes01:19

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Phase transitions play an important theoretical and practical role in the study of heat flow. In melting or fusion, a solid turns into a liquid; the opposite process is freezing. In evaporation, a liquid turns into a gas; the opposite process is condensation.
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Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
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312 MAX Phases: Elastic Properties and Lithiation.

P P Filippatos1,2, M A Hadi3, S-R G Christopoulos1

  • 1Faculty of Engineering, Environment and Computing, Coventry University, Priory Street, Coventry CV1 5FB, UK.

Materials (Basel, Switzerland)
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Summary

Researchers explored Mn+1AXn phases for battery applications. Certain MAX phases show low energy for lithium incorporation, suggesting their potential for future battery technologies.

Keywords:
DFTMAX phaseselasticslithiation

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Computational Materials Science

Background:

  • Mn+1AXn phases are a unique class of ternary carbides and nitrides.
  • These materials exhibit a combination of ceramic and metallic properties, leading to broad application potential.
  • Their structural and electronic characteristics make them interesting for energy storage solutions.

Purpose of the Study:

  • To investigate the elastic properties of 312 MAX phases.
  • To evaluate the feasibility of lithium atom incorporation into these MAX phases.
  • To identify potential MAX phase candidates for advanced battery applications.

Main Methods:

  • Utilized density functional theory (DFT) calculations.
  • Calculated elastic properties of selected 312 MAX phases.
  • Simulated and quantified the energy required for lithium atom insertion.

Main Results:

  • Elastic properties of the 312 MAX phases were successfully computed.
  • A particularly low energy for incorporating a single lithium atom was found in Mo3SiC2, Hf3AlC2, Zr3AlC2, and Zr3SiC2.
  • These findings indicate favorable conditions for lithium-ion interaction within these specific MAX phases.

Conclusions:

  • The calculated low incorporation energy suggests these MAX phases are promising for battery applications.
  • Mo3SiC2, Hf3AlC2, Zr3AlC2, and Zr3SiC2 warrant further theoretical and experimental investigation for energy storage.
  • This study theoretically supports the consideration of these MAX phases in the development of next-generation batteries.