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Related Concept Videos

Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
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Hybridization of Atomic Orbitals I03:24

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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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Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

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According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
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Conformations of Cyclohexane02:11

Conformations of Cyclohexane

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Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

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The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
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Related Experiment Video

Updated: Dec 9, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Grain Boundary Motion in Two-Dimensional Hexagonal Boron Nitride.

Xibiao Ren1, Chuanhong Jin1,2

  • 1State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China.

ACS Nano
|September 15, 2020
PubMed
Summary
This summary is machine-generated.

Understanding grain boundary (GB) motion in polycrystals is key for materials science. This study reveals atomic mechanisms in 2D hexagonal boron nitride (h-BN), showing GB sliding and dislocation reactions are crucial for GB motion.

Keywords:
GB slidinggrain boundary motiongrain rotationhexagonal boron nitridemobilityshear-coupled motiontwo-dimensional materials

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Precise control of grain boundary (GB) motion is vital for polycrystalline material properties.
  • Existing research primarily examines ideal bicrystal systems, leaving polycrystal GB motion mechanisms unclear.

Purpose of the Study:

  • To experimentally investigate atomic-scale GB motion mechanisms in two-dimensional (2D) polycrystalline materials.
  • To elucidate the role of GB structure and misorientation angles in GB motion.

Main Methods:

  • Utilized two-dimensional hexagonal boron nitride (h-BN) as a model system.
  • Analyzed GB motion across straight (symmetric and asymmetric) and curved GB configurations.
  • Examined the influence of misorientation angles and dislocation reactions on GB dynamics.

Main Results:

  • Symmetric GBs require both shear-coupled motion and GB sliding for continuous movement.
  • Asymmetric GBs exhibit defaceting-transitioning-to-faceting motion driven by dislocation reactions.
  • Curved GBs undergo shear-coupled motion leading to grain rotation dependent on misorientation.
  • Partial dislocations are involved in GB motion at high misorientation angles (>38°) in h-BN.

Conclusions:

  • Established a framework for understanding atomic-scale GB motion mechanisms in 2D polycrystals.
  • Highlighted the importance of GB sliding, defaceting-faceting processes, and dislocations.
  • Findings provide insights for technological applications like grain growth and GB engineering.