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Related Concept Videos

Metallic Solids02:37

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.
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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.
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Polymerization produces macromolecules with a range of chain lengths due to the random nature of molecular growth processes. As chains form and terminate at different stages, a single polymer sample contains molecules of varying sizes rather than a uniform structure. This variability is described using average molar masses and distribution-related parameters, which together provide a comprehensive understanding of polymer characteristics.The distribution of molar masses plays a critical role in...

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Published on: June 7, 2018

Metallicity in individual MMX chains.

Arrigo Calzolari1, Simone S Alexandre, Felix Zamora

  • 1National Center on nanoStructures and bioSystems at Surfaces of INFM-CNR, Via Campi 213/A, 41100 Modena, Italy. arrigo.calzolari@unimore.it

Journal of the American Chemical Society
|March 28, 2008
PubMed
Summary
This summary is machine-generated.

This study shows that the metallic properties of [Pt2(CH3CS2)4I]n MMX polymers are robust. Even with structural and chemical changes, these single chains maintain their metallic character.

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Area of Science:

  • Materials Science
  • Solid-State Physics
  • Computational Chemistry

Background:

  • Halogen-bridged MMX polymers, such as [Pt2(CH3CS2)4I]n, are of interest for their unique electronic properties.
  • Understanding the factors influencing their conductivity is crucial for potential applications.

Purpose of the Study:

  • To investigate the structural and electronic properties of the [Pt2(CH3CS2)4I]n MMX polymer using ab initio methods.
  • To determine the robustness of the metallic character in these single chains under various perturbations.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • The electronic band structure of the regular polymer was computed.
  • Simulations included perturbations like subunit substitutions, strain, defects, and magnetic effects.

Main Results:

  • The computed band structure indicates a net metallic character for the infinite regular polymer.
  • This metallic state is found to be robust against a wide range of geometrical and chemical modifications.
  • Perturbations included metal, halide, and ligand substitutions, as well as structural strain and defects.

Conclusions:

  • The metallic character of single MMX chains is highly resistant to realistic distortions and chemical variations.
  • The findings support experimental observations of metallic behavior in the solid phase.
  • This resilience suggests potential for stable conductive properties in MMX-based materials.