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Related Concept Videos

Phase Diagram01:19

Phase Diagram

7.2K
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).
7.2K
Phase Diagram01:24

Phase Diagram

48
A phase diagram is a graphical representation of the physical states of a substance under different conditions of temperature and pressure. It shows the boundaries between solid, liquid, and gas phases and the conditions at which these phases coexist in equilibrium. An area in a phase diagram represents a single phase, whereas lines or phase boundaries represent the equilibrium between two phases.In the phase diagram of water, the boundary line between the solid and liquid states illustrates...
48
Phase Diagrams of Ternary Systems01:28

Phase Diagrams of Ternary Systems

24
Consider a ternary system, which is composed of three components: water (W), ethanoic acid (E), and trichloromethane (T). Here, Ethanoic acid (E) is fully miscible with both water (W) and trichloromethane (T), meaning it can mix entirely with either of them. However, water and trichloromethane have partial miscibility, meaning they can only mix to a certain extent, beyond which two separate phases will form.The phase diagram of a ternary system is represented as an equilateral triangle, where...
24
Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

20.6K
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...
20.6K
Phase Transitions01:21

Phase Transitions

27
A phase transition is the process in which a substance changes from one state of matter to another, like from a solid to a liquid, liquid to gas, or vice versa, at a specific temperature and under given pressure conditions. This change is spontaneous and is affected by alterations in temperature and pressure. These parameters impact the strength of the forces between molecules (intermolecular forces) in the substance.During a phase transition, both the initial and final phases of the substance...
27
Phase Transitions02:31

Phase Transitions

23.6K
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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Discovering a First-Order Phase Transition in the Li-CeO2 System.

Kaikai Li1, Xiaoye Zhou1, Anmin Nie2

  • 1Department of Mechanical and Aerospace Engineering, Hong Kong University of Science and Technology , Clear Water Bay, Kowloon, Hong Kong, China.

Nano Letters
|December 31, 2016
PubMed
Summary

We discovered a reversible phase transition in cerium dioxide (CeO₂) nanoparticles during lithiation. This finding, revealed by operando synchrotron X-ray diffraction and DFT calculations, advances understanding of electrode material behavior.

Keywords:
CeO2Phase transitiondensity functional theorylithiumoperando synchrotron XRD

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Solid-State Chemistry

Background:

  • Understanding phase transitions in electrode materials is key for designing better batteries.
  • Lithiation/delithiation processes significantly impact electrode material structure and properties.

Purpose of the Study:

  • To investigate the phase transition mechanism during the (de)lithiation of cerium dioxide (CeO₂) nanoparticles.
  • To elucidate the structure-property relationships governing CeO₂ electrode performance.

Main Methods:

  • Operando synchrotron X-ray diffraction (SXRD) was employed to observe structural changes in real-time.
  • Density Functional Theory (DFT) based calculations were used to model the electronic and structural behavior.

Main Results:

  • A reversible first-order phase transition was identified in LiₓCeO₂ nanoparticles during (de)lithiation.
  • The LiₓCeO₂ phase retains the fluorite structure (FM3M space group) but exhibits a larger lattice constant (0.551 nm) compared to pristine CeO₂ (0.541 nm).
  • DFT calculations confirmed that electron redistribution upon lithiation strengthens Ce-O bonds, causes atomic shuffling, and leads to lattice expansion.

Conclusions:

  • The study reveals a novel phase transition in CeO₂ during lithium interaction, crucial for understanding its electrochemical behavior.
  • This discovery opens avenues for exploring the properties and potential applications of LiₓCeO₂ in energy storage.