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Related Concept Videos

Van der Waals Interactions01:24

Van der Waals Interactions

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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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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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The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Fabricating van der Waals Heterostructures with Precise Rotational Alignment
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Frustrated van der Waals heterostructures.

Sherif Abdulkader Tawfik1

  • 1Applied Artificial Intelligence Institute, Deakin University, Geelong, Victoria 3216, Australia. abbas@deakin.edu.au.

Nanoscale
|October 18, 2024
PubMed
Summary
This summary is machine-generated.

Geometrical frustration is explored in van der Waals 2D materials. Researchers identified one potentially stable, frustrated van der Waals heterostructure using computational methods.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Materials Science

Background:

  • Geometrical frustration, arising from conflicting forces in packed lattices, is a known phenomenon in glass materials.
  • This study extends the concept of geometrical frustration to van der Waals (vdW) two-dimensional (2D) materials.

Purpose of the Study:

  • To investigate geometrically frustrated vdW heterostructures.
  • To identify potentially synthesizable 2D materials exhibiting this phenomenon.

Main Methods:

  • Utilized density functional theory (DFT) with the r2SCAN + rVV10 exchange-correlation potential.
  • Employed three structural stability criteria: phonon dispersion, thermodynamic stability comparison (frustrated vs. non-frustrated vdW heterostructures), and ab initio molecular dynamics simulations.

Main Results:

  • Identified several 2D heterostructures with alternating strains (strained and compressed layers).
  • Out of 7 investigated frustrated vdW heterostructures, one material was found to be potentially stable based on the applied criteria.

Conclusions:

  • The study successfully applied computational methods to explore frustrated vdW heterostructures.
  • One promising candidate material for frustrated vdW heterostructures was identified, with potential fabrication pathways discussed.