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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

10.0K
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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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....
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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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Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

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The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
61.9K
Properties of Transition Metals02:58

Properties of Transition Metals

28.1K
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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Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
25.7K

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Updated: Nov 8, 2025

Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
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General Trends in Core-Shell Preferences for Bimetallic Nanoparticles.

Namsoon Eom1, Maria E Messing1, Jonas Johansson1

  • 1Solid State Physics and NanoLund, Lund University, Box 118, 22100 Lund, Sweden.

ACS Nano
|April 23, 2021
PubMed
Summary
This summary is machine-generated.

Surface segregation in bimetallic nanoparticles is driven by material properties, influencing core-shell structure. Cohesive energy and Wigner-Seitz radius are key predictors for predicting segregation and core-shell preference.

Keywords:
bimetallic nanoparticlescore−shell nanoparticleslinear discriminant analysismolecular dynamicsprincipal component analysissurface segregation

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Chemistry

Background:

  • Surface segregation in bimetallic nanoparticles is critical for their synthesis and applications.
  • Understanding nanoscale segregation phenomena requires a comprehensive picture of material interactions.

Purpose of the Study:

  • To determine general trends in core-shell preference for bimetallic nanoparticles.
  • To investigate the effects of size and composition on surface segregation.
  • To identify key physical properties governing segregation behavior.

Main Methods:

  • Utilized molecular dynamics (MD) and Monte Carlo (MC) simulations.
  • Studied 45 different bimetallic combinations across various sizes and compositions.
  • Employed Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) on simulation results.

Main Results:

  • Core-shell tendency depends on the availability of surface-preferring elements.
  • Cohesive energy and Wigner-Seitz radius are primary factors influencing segregation.
  • Specific thresholds for cohesive energy (∼20%) and Wigner-Seitz radius (∼4%) differences predict highly segregated structures.

Conclusions:

  • Developed predictive guidelines for core-shell preference and segregation levels in bimetallic nanoparticles.
  • Cohesive energy and Wigner-Seitz radius have an additive effect on segregation.
  • The interplay between cohesive energy and Wigner-Seitz radius dictates the degree of core-shell formation.