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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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The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
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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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Crystal Field Theory
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Vacancy Occupation-Driven Polymorphic Transformation in Cobalt Ditelluride for Boosted Oxygen Evolution Reaction.

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|June 2, 2020
PubMed
Summary

We activated cobalt telluride (CoTe₂) for oxygen evolution reaction (OER) catalysis by doping phosphorus into tellurium vacancies. This structural transformation yielded an exceptional electrocatalyst with low overpotential and high stability.

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anion vacancy and dopingcobalt ditelluridehierarchically porous carbonoxygen evolution reactionpolymorphic transition

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Transition-metal dichalcogenides (TMDs) are promising electrocatalysts for the oxygen evolution reaction (OER).
  • However, transition metal telluride catalysts, including CoTe₂, exhibit poor activity for OER.

Purpose of the Study:

  • To enhance the OER catalytic activity of CoTe₂.
  • To investigate the effect of anion doping and structural phase transition on catalytic performance.

Main Methods:

  • Doping secondary anions (e.g., P) into tellurium vacancies of CoTe₂.
  • Inducing a structural transition from hexagonal to orthorhombic phase.
  • Electrochemical characterization and theoretical calculations.

Main Results:

  • Achieved orthorhombic CoTe₂ with P-doping and partial Te vacancies showed exceptional OER activity.
  • The catalyst exhibited a low overpotential of 241 mV at 10 mA cm⁻² and robust stability (>24 h).
  • Experimental and theoretical studies confirmed controllable phase transformation and synergistic effects.

Conclusions:

  • Vacancy occupation-driven structural transformation is an effective strategy to activate telluride-based electrocatalysts for OER.
  • The P-doped orthorhombic CoTe₂ offers a promising pathway for developing efficient and stable OER electrocatalysts.
  • This strategy is adaptable for S- and Se-doping, providing guidance for future catalyst design.