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Related Concept Videos

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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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The high insolubility of some precipitates can result in an unfavorable relative supersaturation. This can lead to colloidal particles with a large surface-to-mass ratio, where adsorption is promoted. For instance, in the precipitation of silver chloride, silver ions are adsorbed on the surface of the colloidal particles, forming a primary layer. This layer attracts ions of opposite charge (such as nitrate ions), forming a diffuse secondary layer of adsorbed ions. This electric double layer...
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Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
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Explaining Cu@Pt Bimetallic Nanoparticles Activity Based on NO Adsorption.

Francesc Viñes1,2, Andreas Görling1,3

  • 1Lehrstuhl für Theoretische Chemie, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058, Erlangen, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|February 14, 2020
PubMed
Summary
This summary is machine-generated.

Copper-platinum (Cu@Pt) nanoparticles show enhanced catalytic stability and activity for nitrogen oxide (NOx) storage and reduction compared to other configurations. This improvement stems from electronic structure changes and charge transfer dynamics within the nanoparticles.

Keywords:
NO adsorptionbimetallic CuPtcore@shell nanoparticlesdensity functional calculationselectronic structures

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Area of Science:

  • Materials Science
  • Catalysis
  • Computational Chemistry

Background:

  • Copper-platinum (Cu@Pt) core-shell nanoparticles are recognized as superior catalysts for nitrogen oxide (NOx) storage and reduction.
  • Their enhanced performance surpasses that of pure platinum (Pt) or copper (Cu) nanoparticles, as well as inverse Pt@Cu configurations.

Purpose of the Study:

  • To investigate the energetic and electronic factors contributing to the enhanced stability and catalytic activity of Cu@Pt nanoparticles.
  • To elucidate the mechanisms behind NOx adsorption and reduction on these bimetallic nanostructures using theoretical modeling.

Main Methods:

  • Density functional theory (DFT) calculations were employed to model Cu@Pt and Pt@Cu nanoparticles of varying sizes and shapes.
  • Analysis included charge transfer, cohesion energy, d-band center shifts, and charge density differences.

Main Results:

  • Cu@Pt nanoparticles exhibit greater stability than Pt@Cu nanoparticles due to specific energetic contributions.
  • Charge transfer from Cu to Pt influences nanoparticle cohesion and surface electronic properties.
  • The d-band model and charge density analysis revealed a donation/back-donation mechanism for NO adsorption, with surface Pt atoms playing a key role.

Conclusions:

  • The enhanced catalytic performance of Cu@Pt nanoparticles is attributed to favorable electronic structure modifications and charge distribution.
  • Understanding these fundamental interactions provides insights for designing advanced catalysts for NOx emission control.