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Metallic Solids

Metallic Solids

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....

Properties of Transition Metals

Properties of Transition Metals

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.

Coordination Number and Geometry

Coordination Number and Geometry

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.

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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,...

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

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...

Colors and Magnetism

Colors and Magnetism

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...

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Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles

Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles

Published on: November 27, 2015

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes).

Babak Anasori^1,2, Yu Xie³, Majid Beidaghi^1,2

¹Department of Materials Science & Engineering, Drexel University , Philadelphia, Pennsylvania 19104, United States.

|July 25, 2015

Summary

This summary is machine-generated.

Researchers predicted and synthesized new two-dimensional (2D) ordered carbides (MXenes) with unique structures and properties. These novel materials, featuring transition metals, expand the choices for advanced applications.

Keywords:

2D materials DFT calculations MXene electrochemical properties

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Area of Science:

Materials Science
Solid State Chemistry
Nanotechnology

Background:

Two-dimensional (2D) materials offer unique properties driven by their chemical diversity and structural complexity.
Ordered carbides, known as MXenes, represent a promising class of 2D materials with tunable characteristics.

Purpose of the Study:

To predict and experimentally validate new families of 2D ordered carbides (MXenes) with novel compositions and structures.
To investigate the influence of specific elemental arrangements on the properties of these new MXenes.

Main Methods:

Density functional theory (DFT) calculations were employed to predict the existence and structures of M'2M″C2 and M'2M″2C3 MXene families.
Experimental synthesis of Mo2TiC2Tx, Mo2Ti2C3Tx, and Cr2TiC2Tx was performed to validate theoretical predictions.

Main Results:

DFT successfully predicted two new families of 2D ordered carbides (MXenes): M'2M″C2 and M'2M″2C3, with M' layers sandwiching M″ carbide layers.
Synthesized Mo2TiC2Tx, Mo2Ti2C3Tx, and Cr2TiC2Tx confirmed the DFT predictions, demonstrating the feasibility of creating these complex structures.
The surface-exposed Mo and Cr atoms were shown to significantly influence the chemical and electrochemical properties, as evidenced by distinct electrochemical behavior compared to Ti3C2Tx.

Conclusions:

The study successfully expanded the family of 2D MXenes by introducing new structural motifs and chemical compositions.
The findings highlight the tunability of MXene properties through controlled synthesis and elemental composition, particularly the role of surface termination.
This work provides a broader selection of 2D materials for exploring diverse and potentially useful chemical and electrochemical applications.