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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

29.7K
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.
29.7K
Phase Transitions02:31

Phase Transitions

22.8K
Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
22.8K
Cooperative Allosteric Transitions01:58

Cooperative Allosteric Transitions

8.7K
Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
8.7K
Phase Transitions: Vaporization and Condensation02:39

Phase Transitions: Vaporization and Condensation

20.8K
The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
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Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

19.9K
Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
19.9K
Bonding in Metals02:32

Bonding in Metals

52.2K
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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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene

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Phosphorene-Supported Transition-Metal Dimer for Effective N2 Electroreduction.

Qing Tang1, De-En Jiang2

  • 1School of Chemistry and Chemical Engineering, Chongqing University, Chongqing, 401331, China.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|April 25, 2019
PubMed
Summary

Electrochemical nitrogen (N2) reduction to ammonia (NH3) is a sustainable alternative. Ti, Sc, and Fe dimers on phosphorene show promise as efficient electrocatalysts, significantly lowering energy requirements.

Keywords:
N2 reductiondensity functional theoryelectrocatalysisphosphorenetransition metal dimer

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • The Haber-Bosch process for ammonia synthesis is energy-intensive.
  • Electrochemical nitrogen reduction offers a sustainable alternative at ambient conditions.
  • Developing efficient electrocatalysts for nitrogen activation and reduction remains a significant challenge.

Purpose of the Study:

  • To identify promising electrocatalysts for nitrogen (N2) to ammonia (NH3) conversion.
  • To investigate the catalytic activity of transition metal dimers supported on phosphorene.
  • To elucidate the mechanism of N2 reduction mediated by these catalysts.

Main Methods:

  • First-principles density functional theory (DFT) calculations were employed.
  • The study focused on titanium (Ti) dimers supported on single-layer phosphorene.
  • Computational screening of other first-row transition metal dimers (Sc, Fe) was performed.

Main Results:

  • Ti dimer on phosphorene exhibits a low overpotential of 0.20 V for N2 reduction.
  • This overpotential is significantly lower than that of Ti surfaces or nitrides.
  • Sc and Fe dimers on phosphorene also show potential, with overpotentials of 0.21 V and 0.45 V, respectively.
  • A hydride-mediated mechanism involving Ti2-H species was identified for N2 reduction.

Conclusions:

  • Ti, Sc, and Fe dimer clusters supported on phosphorene are predicted as highly effective electrocatalysts for N2 reduction.
  • These phosphorene-supported catalysts offer a viable pathway for sustainable ammonia production.
  • The findings provide a theoretical basis for the experimental development of advanced electrocatalysts.