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Van der Waals Equation01:10

Van der Waals Equation

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The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
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Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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Recall that a particle in equilibrium is one for which the external forces are balanced. Static equilibrium involves objects at rest, and dynamic equilibrium involves objects in motion without acceleration; but it is important to remember that these conditions are relative. For instance, an object may be at rest when viewed from one frame of reference, but that same object would appear to be in motion when viewed by someone moving at a constant velocity.
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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Data-Driven Quest for Two-Dimensional Non-van der Waals Materials.

Rico Friedrich1,2, Mahdi Ghorbani-Asl1, Stefano Curtarolo2,3

  • 1Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden, Germany.

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|January 20, 2022
PubMed
Summary
This summary is machine-generated.

Researchers identified new non-van der Waals (vdW) two-dimensional (2D) materials. Low cation oxidation states predict weak bonding, guiding the discovery of novel 2D materials for spintronics and other applications.

Keywords:
2D materialscomputational materials sciencedata-driven researchexfoliationhigh-throughput computing

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Design

Background:

  • Two-dimensional (2D) materials are typically layered compounds with van der Waals (vdW) forces.
  • Computational searches have identified thousands of potentially exfoliable vdW materials.
  • A new class of non-vdW 2D materials lacking 3D analogues has emerged, requiring new design principles.

Purpose of the Study:

  • To establish data-driven design principles for novel non-vdW 2D materials.
  • To identify promising candidate materials for experimental synthesis and application.
  • To explore the relationship between material structure and exfoliation properties.

Main Methods:

  • Filtering the AFLOW-ICSD database using structural prototypes.
  • Analyzing the role of cation oxidation states in exfoliation energy.
  • Predicting properties of candidate materials.

Main Results:

  • A set of 8 binary and 20 ternary non-vdW 2D material candidates were identified.
  • Surface cation oxidation state was found to regulate exfoliation energy, with low oxidation numbers indicating weak bonding.
  • The identified materials exhibit diverse electronic, optical, and magnetic properties.

Conclusions:

  • Low cation oxidation state is a key descriptor for designing novel non-vdW 2D materials.
  • The identified candidates offer potential for applications, especially in spintronics.
  • This work provides guidelines for experimental synthesis of new 2D materials.