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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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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.
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...
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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

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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.
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Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

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Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
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Water: A Bronsted-Lowry Acid and Base02:30

Water: A Bronsted-Lowry Acid and Base

58.9K
The reaction between a Brønsted-Lowry acid and water is called acid ionization. For example, when hydrogen fluoride dissolves in water and ionizes, protons are transferred from hydrogen fluoride molecules to water molecules, yielding hydronium ions and fluoride ions:
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The Z-Scheme of Electron Transport in Photosynthesis01:34

The Z-Scheme of Electron Transport in Photosynthesis

13.8K
The light reactions of photosynthesis assume a linear flow of electrons from water to NADP+. During this process, light energy drives the splitting of water molecules to produce oxygen. However, oxidation of water molecules is a thermodynamically unfavorable reaction and requires a strong oxidizing agent. This is accomplished by the first product of light reactions: oxidized P680 (or P680+), the most powerful oxidizing agent known in biology. The oxidized P680 that acquires an electron from the...
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Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
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Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials

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Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures.

Ruiqi Zhang1, Lili Zhang1, Qijing Zheng1

  • 1Hefei National Laboratory for Physical Sciences at the Microscale , University of Science and Technology of China , Hefei , Anhui 230026 , China.

The Journal of Physical Chemistry Letters
|September 6, 2018
PubMed
Summary
This summary is machine-generated.

A novel two-dimensional BCN/C2N heterostructure shows promise for direct Z-scheme water splitting. Ultrafast electron-hole recombination at the interface, aided by specific phonon modes, enhances photocatalytic efficiency.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Chemistry

Background:

  • Z-scheme water splitting mimics natural photosynthesis for enhanced photocatalytic activity.
  • Efficient photocatalysts require minimizing photogenerated electron-hole (e-h) recombination at interfaces.
  • Direct Z-scheme photocatalysts are crucial for efficient water splitting applications.

Purpose of the Study:

  • To investigate a novel two-dimensional (2D) metal-free van der Waals (vdW) heterostructure for direct Z-scheme water splitting.
  • To understand the mechanism and timescale of electron-hole recombination in the proposed heterostructure.
  • To identify key factors influencing photocatalytic efficiency in 2D vdW heterostructures.

Main Methods:

  • Time-dependent ab initio nonadiabatic molecular dynamics (NAMD) simulations.
  • Investigation of electron-hole recombination dynamics.
  • Analysis of phonon modes (intralayer optical and interlayer shear) using the frozen phonon method.

Main Results:

  • A 2D BCN/C2N vdW heterostructure is proposed as a promising direct Z-scheme photocatalyst.
  • Ultrafast electron-hole recombination occurs within 2 ps, with over 85% at the interface.
  • Interlayer shear and intralayer optical phonon modes significantly assist this rapid recombination.

Conclusions:

  • The BCN/C2N vdW heterostructure demonstrates potential for efficient direct Z-scheme water splitting.
  • The unique interlayer relative movements in vdW heterostructures are key to ultrafast recombination.
  • 2D vdW heterostructures represent a promising class for discovering new direct Z-scheme photocatalysts.