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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...
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Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

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Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
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Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Coordination Number and Geometry02:57

Coordination Number and Geometry

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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.
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Network Covalent Solids02:18

Network Covalent Solids

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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
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Valence Bond Theory02:42

Valence Bond Theory

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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Negative Additive Manufacturing of Complex Shaped Boron Carbides
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Negative Additive Manufacturing of Complex Shaped Boron Carbides

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El nitruro de boro metálico tridimensional tridimensional es un nitruro de boro metálico tridimensional.

Shunhong Zhang1, Qian Wang, Yoshiyuki Kawazoe

  • 1Center for Applied Physics and Technology, College of Engineering, Peking University , Beijing 100871, China.

Journal of the American Chemical Society
|November 7, 2013
PubMed
Resumen
Este resumen es generado por máquina.

El nitruro de boro (BN) es típicamente un aislante. Los investigadores proponen una nueva fase tetragonal de BN que es dinámicamente estable y metálica, impulsada por electrones B 2p deslocalizados.

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Área de la Ciencia:

  • Ciencia de los materiales Ciencia de los materiales.
  • Física de la materia condensada Física de la materia condensada
  • Química computacional es la química computacional.

Sus antecedentes:

  • El nitruro de boro (BN) y el carbono comparten estructuras análogas (nanotubos 1D, hojas nano 2D, diamante 3D) debido a la unión sp2 y sp3.
  • A diferencia del carbono, BN es consistentemente un aislante eléctrico en todas las dimensiones y estructuras.
  • Los materiales BN existentes están limitados en aplicaciones que requieren conductividad eléctrica.

Objetivo del estudio:

  • Proponer teóricamente e investigar una nueva fase del nitruro de boro (BN).
  • Determinar la estabilidad estructural y las propiedades electrónicas de esta fase propuesta de BN.
  • Explorar el potencial de esta nueva fase de BN para aplicaciones de materiales avanzados.

Principales métodos:

  • Utilizando cálculos teóricos de última generación.
  • Realización de análisis de estabilidad dinámica.
  • Analizar la estructura de la banda, la densidad de los estados y la función de localización de electrones.

Principales resultados:

  • Se propuso teóricamente una nueva fase tetragonal de nitruro de boro (BN).
  • Se encontró que esta fase BN tetragonal era dinámicamente estable.
  • La fase BN propuesta exhibe un comportamiento metálico debido a los electrones B2p deslocalizados.

Conclusiones:

  • El descubrimiento de una fase BN tetragonal metálica y estable desafía la comprensión convencional de la naturaleza aislante de BN.
  • Las propiedades metálicas provienen de los electrones B2p deslocalizados, confirmados por el análisis de la estructura electrónica.
  • Este BN metálico podría permitir nuevos materiales más allá de la cerámica y aplicaciones en dispositivos electrónicos.