Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Van der Waals Equation01:10

Van der Waals Equation

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.
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
The Van der Waals Equation01:26

The Van der Waals Equation

The ideal gas law is based on two simplifying assumptions: first, that there are no intermolecular attractions between gas molecules, and second, that the volume occupied by the molecules themselves is negligible compared with the volume of the container. However, these assumptions don't hold up under all conditions - specifically, at high pressures and low temperatures, as gas tends to deviate from ideal gas behavior.The van der Waals equation is an enhanced version of the ideal gas law,...
Van der Waals Interactions01:24

Van der Waals Interactions

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.
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
VSEPR Theory and the Basic Shapes02:52

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory
Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Controlled generation of luminescent centers in hexagonal boron nitride by irradiation engineering.

Science advances·2021
Same author

Nanostructuring few-layer graphene films with swift heavy ions for electronic application: tuning of electronic and transport properties.

Nanoscale·2018
Same author

Substitutional carbon doping of free-standing and Ru-supported BN sheets: a first-principles study.

Journal of physics. Condensed matter : an Institute of Physics journal·2017
Same author

Tailoring the optical properties of atomically-thin WS<sub>2</sub>via ion irradiation.

Nanoscale·2017
Same author

Mechanical properties and current-carrying capacity of Al reinforced with graphene/BN nanoribbons: a computational study.

Nanoscale·2016
Same author

Electron-Beam Induced Transformations of Layered Tin Dichalcogenides.

Nano letters·2016

Related Experiment Video

Updated: May 18, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Are we van der Waals ready?

T Björkman1, A Gulans, A V Krasheninnikov

  • 1COMP-Aalto University School of Science, PO Box 11100, 00076 Aalto, Finland. torbjorn.bjorkman@aalto.fi

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|October 4, 2012
PubMed
Summary
This summary is machine-generated.

We evaluated density-functional methods for describing van der Waals interactions in layered solids. Non-local van der Waals density functionals show promise for accurate predictions of material properties.

More Related Videos

Fabricating van der Waals Heterostructures with Precise Rotational Alignment
09:25

Fabricating van der Waals Heterostructures with Precise Rotational Alignment

Published on: July 5, 2019

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Related Experiment Videos

Last Updated: May 18, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Fabricating van der Waals Heterostructures with Precise Rotational Alignment
09:25

Fabricating van der Waals Heterostructures with Precise Rotational Alignment

Published on: July 5, 2019

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Area of Science:

  • Condensed matter physics
  • Materials science
  • Computational chemistry

Background:

  • Accurately describing van der Waals (vdW) interactions is crucial for understanding the properties of layered materials.
  • Traditional density-functional approximations often fail to capture these weak interactions.
  • Developing reliable computational methods is essential for materials discovery.

Purpose of the Study:

  • To assess the accuracy of various density-functional-theory (DFT)-based methods for vdW interactions in layered solids.
  • To compare the performance of local-density approximation, semi-empirical force fields, non-local vdW density functionals, and random-phase approximation.
  • To identify the most reliable methods for predicting structural and energetic properties of these materials.

Main Methods:

  • Application of DFT-based methods, including local-density approximation (LDA), semi-empirical force fields, non-local vdW density functionals (vdW-DFs), and random-phase approximation (RPA).
  • Investigation of equilibrium geometries, elastic constants, and binding energies for a diverse set of layered materials.
  • Comparative analysis of the accuracy and reliability of the employed methods.

Main Results:

  • The study systematically evaluated the performance of different computational approaches.
  • Non-local vdW-DFs demonstrated superior accuracy compared to LDA and semi-empirical methods for the investigated properties.
  • RPA also showed good performance but with higher computational cost.

Conclusions:

  • Non-local vdW-DFs are recommended for accurate studies of weakly bonded layered solids.
  • Further development of vdW-DFs is needed to improve their predictive power and efficiency.
  • The findings provide guidance for selecting appropriate computational methods in materials science research.