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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

26.8K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
26.8K
Metallic Solids02:37

Metallic Solids

18.6K
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....
18.6K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

27.1K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
27.1K
Colors and Magnetism03:02

Colors and Magnetism

12.2K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
12.2K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

43.7K
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,...
43.7K
Bonding in Metals02:32

Bonding in Metals

47.7K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
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Preparation of Liquid-exfoliated Transition Metal Dichalcogenide Nanosheets with Controlled Size and Thickness: A State of the Art Protocol
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Preparation of Liquid-exfoliated Transition Metal Dichalcogenide Nanosheets with Controlled Size and Thickness: A State of the Art Protocol

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Design Guidelines for Two-Dimensional Transition Metal Dichalcogenide Alloys.

Andrea Silva1,2, Jiangming Cao3, Tomas Polcar1,4

  • 1Faculty of Engineering and Physical Sciences, University of Southampton, University Road, SO17 1BJ Southampton, United Kingdom.

Chemistry of Materials : a Publication of the American Chemical Society
|December 19, 2022
PubMed
Summary

This study introduces a systematic analysis of alloying in two-dimensional (2D) materials, specifically transition metal dichalcogenides (TMDs). Findings provide guidelines for creating novel 2D TMD alloys with tailored properties for diverse applications.

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Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
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Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
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Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Chemistry

Background:

  • Two-dimensional (2D) materials, particularly transition metal dichalcogenides (TMDs), are key in nanotechnology.
  • Alloying strategies, successful for bulk materials, are needed for 2D materials to engineer applications.

Purpose of the Study:

  • To systematically analyze the phase behavior of substitutional 2D alloys in the TMD family.
  • To extend alloying strategies to novel 2D materials for tailored properties.

Main Methods:

  • Computational screening of configurational energy landscapes using First-Principles calculations.
  • Quantification of phase behavior using a metastability metric.
  • Generation of Pettifor maps for chemical space analysis.

Main Results:

  • Systematic analysis of phase behavior for 2D TMD alloys on both metal and chalcogenide sites.
  • Identification of trends across chemical spaces using Pettifor maps.
  • Guidelines for targeted computational analysis of stable compounds.

Conclusions:

  • Pettifor maps serve as a starting point for rational search strategies in phase space.
  • Results guide the synthesis of binary metal 2D TMDs alloys.
  • This work facilitates the development of 2D materials for engineering applications.