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Atomic Structure01:33

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Atoms — and the protons, neutrons, and electrons that compose them — are extremely small. For example, a carbon atom weighs less than 2 × 10−23 g. When describing the properties of tiny objects such as atoms, we use appropriately small units of measure, such as the atomic mass unit (amu). The amu was originally defined based on hydrogen, the lightest element, then later in terms of oxygen. Since 1961, it has been defined with regard to the most abundant isotope of carbon, atoms of which...
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An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
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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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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
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Probing Single Pt Atoms in Complex Intermetallic Al13Fe4.

Tsunetomo Yamada1, Takayuki Kojima1,2, Eiji Abe3

  • 1Institute of Multidisciplinary Research for Advanced Materials (IMRAM) , Tohoku University , 2-1-1 Katahira, Aoba-ku , Sendai 980-8577 , Japan.

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|March 7, 2018
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Summary

Platinum atoms in aluminum iron alloy (Al13Fe4) substitute iron sites. Surface platinum single atoms exhibit reduced activity in propyne hydrogenation, influenced by aluminum bonding.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Catalysis

Background:

  • Complex metallic alloys (CMAs) like Al13Fe4 exhibit unique electronic and structural properties.
  • Single-atom catalysis is a frontier in materials science, offering high efficiency and selectivity.
  • Understanding the local atomic environment is crucial for designing effective single-atom catalysts.

Purpose of the Study:

  • To investigate the atomic structure and site preference of platinum (Pt) single atoms doped into monoclinic Al13Fe4.
  • To evaluate the catalytic performance of Pt single atoms in Al13Fe4 for propyne hydrogenation.
  • To elucidate the relationship between the local atomic structure and catalytic activity of single-atom Pt.

Main Methods:

  • Single crystal growth of Al13Fe4 using the Czochralski method.
  • High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) for atomic-resolution imaging.
  • Single-crystal X-ray diffraction (SC-XRD) for precise structural determination.

Main Results:

  • Platinum atoms were successfully dispersed as single atoms within the Al13Fe4 matrix, substituting iron sites.
  • A strong preferential substitution of Pt at the Fe(1) site was observed.
  • Surface single-atom Pt sites exhibited lower activity and selectivity in propyne hydrogenation compared to Al2Pt and bulk Pt.

Conclusions:

  • The atomic structure of Pt-doped Al13Fe4 was precisely determined, revealing single-atom dispersion and Fe(1) site preference.
  • The catalytic performance of single-atom Pt is significantly influenced by its local coordination environment, particularly bonding with surrounding aluminum atoms.
  • These findings provide critical insights into the structure-activity relationships of single-atom catalysts in complex metallic alloys.