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Catalysis02:50

Catalysis

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The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
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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.
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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation02:24

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Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
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Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

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In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
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Ziegler–Natta Chain-Growth Polymerization: Overview01:17

Ziegler–Natta Chain-Growth Polymerization: Overview

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Ziegler–Natta polymerization is another form of addition or chain‐growth polymerization used for synthesizing linear polymers over branched polymers. The catalyst used for polymerization is the Ziegler–Natta catalyst, named after Karl Ziegler and Giulio Natta, who developed it in 1953. This catalyst is an organometallic complex of titanium tetrachloride and triethyl aluminum, with the active form of the catalyst being an alkyl titanium compound. Using the Ziegler–Natta...
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Updated: Dec 5, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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Ligand Stabilized Ni1 Catalyst for Efficient CO Oxidation.

Minzhen Jian1, Chuanlin Zhao1, Wei-Xue Li1,2

  • 1Department of Chemical Physics, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui, 230026, China.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|October 16, 2020
PubMed
Summary
This summary is machine-generated.

Single nickel atoms on graphitic carbon nitride are unstable and deactivate during CO oxidation. Adding hydroxyl groups stabilizes nickel and enhances catalytic activity for CO oxidation, aiding catalyst design.

Keywords:
CO oxidation reactivitychemical stabilityligandsingle-atom catalysttransition metal

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Area of Science:

  • Heterogeneous catalysis
  • Materials science
  • Surface chemistry

Background:

  • Single transition metal (TM1) catalysts are gaining attention.
  • Understanding TM1 catalyst reactivity and stability is crucial but underexplored.

Purpose of the Study:

  • Investigate the role of reactants and ligands on graphitic carbon nitride (g-C3N4) supported Ni1 catalysts for CO oxidation.
  • Explore the fundamental reactivity and stability of supported single Ni atoms.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Ab initio molecular dynamics (AIMD) simulations.

Main Results:

  • Bare Ni1 atoms on g-C3N4 are metastable and prone to diffusion.
  • CO adsorption leads to dimerization and catalyst deactivation.
  • Hydroxyl groups stabilize Ni1 and enhance reactivity by direct participation in the reaction.

Conclusions:

  • Ligands can improve the chemical stability of TM1 catalysts without compromising reactivity.
  • Insights are valuable for designing stable, atomically dispersed supported metal catalysts.