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Related Concept Videos

Metallic Solids02:37

Metallic Solids

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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
Bonding in Metals02:32

Bonding in Metals

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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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Metal-Ligand Bonds02:51

Metal-Ligand Bonds

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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

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Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
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Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
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Discovering Intermetallics Through Synthesis, Computation, and Data-Driven Analysis.

Sogol Lotfi1, Jakoah Brgoch1,2

  • 1Department of Chemistry, University of Houston, Houston, Texas, 77204, USA.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|March 19, 2020
PubMed
Summary
This summary is machine-generated.

Discovering new intermetallic compounds is accelerated by combining traditional synthesis with computational modeling and data-driven methods. These advanced approaches overcome experimental limitations for faster materials discovery.

Keywords:
density functional calculationsinorganic chemistryintermetallicsmachine learningsolid-state synthesis

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Computational Materials Science

Background:

  • Intermetallics exhibit diverse structures and properties, enabling wide-ranging applications.
  • Identifying novel intermetallic phases is historically challenging due to extensive experimental search spaces.

Purpose of the Study:

  • To review novel approaches for discovering new intermetallic phases.
  • To highlight the integration of computational and data-driven methods with traditional techniques.

Main Methods:

  • Utilizing computational modeling, including density functional theory (DFT) and structure prediction algorithms.
  • Employing data-centered methodologies for rapid prediction of crystal structures and properties.
  • Merging traditional materials synthesis and characterization with computational and informatics tools.

Main Results:

  • Computational advances have led to the discovery of new high-pressure and functional intermetallic phases.
  • Data-driven approaches accelerate the prediction of unknown compounds and their properties.
  • Integration strategies offer significant potential for advancing intermetallic discovery.

Conclusions:

  • Combining computational and data-driven methods with experimental techniques is crucial for efficient intermetallic discovery.
  • These integrated approaches are essential for advancing the field of metal-rich solid discovery.