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Related Concept Videos

Metallic Solids02:37

Metallic Solids

20.3K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
20.3K
Ionic Crystal Structures02:42

Ionic Crystal Structures

16.6K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.6K
Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

3.6K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
3.6K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

11.2K
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...
11.2K
Coordination Number and Geometry02:57

Coordination Number and Geometry

18.5K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
18.5K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

47.6K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
47.6K

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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Octahedrally coordinated single layered CaF2: robust insulating behaviour.

Mehmet Baskurt1, Jun Kang2, Hasan Sahin1

  • 1Department of Photonics, Izmir Institute of Technology, Izmir, 35430, Turkey. mehmetbaskurt@iyte.edu.tr.

Physical Chemistry Chemical Physics : PCCP
|January 18, 2020
PubMed
Summary
This summary is machine-generated.

Single-layered calcium fluoride (CaF2) exhibits stable 2D and 1D structures with insulating properties. These calcium fluoride nanostructures show promise as alternatives to hexagonal boron nitride (h-BN) in nanoelectronics.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid State Chemistry

Background:

  • Two-dimensional (2D) materials are crucial for next-generation electronics.
  • Hexagonal boron nitride (h-BN) is a widely used insulating 2D material.
  • Exploring novel 2D materials with superior properties is essential.

Purpose of the Study:

  • Investigate the structural, vibrational, and electronic properties of single-layered calcium fluoride (CaF2).
  • Assess the potential of 2D and 1D CaF2 nanostructures in nanoelectronics.

Main Methods:

  • First-principles calculations were employed.
  • Phonon dispersion analysis confirmed dynamical stability.
  • Electronic band structure and density of states were computed.

Main Results:

  • Single-layered 1T-CaF2 is dynamically stable and exhibits Raman active modes.
  • 1T-CaF2 possesses an indirect wide band gap, exceeding that of h-BN.
  • 1D CaF2 nanoribbons (zigzag and armchair) maintain the 1T phase and show robust insulating behavior.
  • Properties are independent of nanoribbon width.

Conclusions:

  • Single-layered CaF2 is a stable 2D material with promising electronic properties.
  • Both 2D and 1D CaF2 nanostructures are potential alternatives to h-BN in nanoelectronic applications.
  • CaF2 offers a wider electronic band gap compared to h-BN.