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Van der Waals Interactions

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.

The Electrical Double Layer

The Electrical Double Layer

In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...

Van der Waals Equation

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...

Electrochemical Systems

Electrochemical Systems

Electrochemical systems provide a fascinating insight into the dynamic interplay of charged species within various phases. One notable example is the interaction between a membrane permeable to K⁺ ions but not to Cl⁻ ions, separating an aqueous KCl solution from pure water. As K⁺ ions diffuse through the membrane, they generate net charges on each phase, leading to a potential difference between them.Similarly, when a piece of Zn is immersed in an aqueous ZnSO₄ solution,...

Intermolecular Forces

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...

Intermolecular Forces

Intermolecular Forces

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Updated: Apr 12, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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Published on: May 27, 2020

Charge Transfer Excitons at van der Waals Interfaces.

Xiaoyang Zhu¹, Nicholas R Monahan¹, Zizhou Gong¹

¹Department of Chemistry, Columbia University, New York, New York 10027, United States.

Journal of the American Chemical Society

|May 24, 2015

Summary

Charge transfer excitons at van der Waals interfaces are key for light-electricity devices. Their efficient separation relies on balancing electron-hole pair localization and delocalization, crucial for solar cells and LEDs.

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Area of Science:

Materials Science
Condensed Matter Physics
Optoelectronics

Background:

Van der Waals interfaces in molecular donor/acceptor systems and 2D semiconductors are fundamental to light-electricity conversion technologies.
These interfaces exhibit poorly screened Coulomb potentials, leading to bound electron-hole pairs known as charge transfer (CT) or interlayer excitons.

Purpose of the Study:

To investigate common characteristics of CT excitons at both molecular donor/acceptor and 2D semiconductor van der Waals interfaces.
To explore the interplay between localization and delocalization in achieving efficient charge separation at these interfaces.

Main Methods:

Theoretical analysis of charge transfer exciton behavior at van der Waals interfaces.
Comparative study of electronic delocalization mechanisms in molecular and 2D semiconductor systems.

Main Results:

Electronic delocalization in real space is critical for charge carrier separation at molecular donor/acceptor interfaces.
In 2D semiconductor heterojunctions, delocalization in momentum space, driven by strong exciton binding, aids CT exciton formation via momentum conservation.

Conclusions:

Understanding the balance of localization and delocalization is essential for optimizing charge separation in van der Waals heterostructures.
These findings provide insights into the fundamental physics governing exciton dynamics in emerging optoelectronic devices.