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Related Concept Videos

Metallic Solids02:37

Metallic Solids

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
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Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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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.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
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Hydrogen Bonds00:26

Hydrogen Bonds

129.5K
Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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Hydrogen Bonds01:04

Hydrogen Bonds

12.9K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
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Potential hydrogen storage materials from metal decorated 2D-C2N: an ab initio study.

R Varunaa1, P Ravindran2

  • 1Department of Physics, Central University of Tamil Nadu, Thiruvarur, Tamil Nadu 610005, India. raviphy@cutn.ac.in and Simulation Center for Atomic and Nanoscale MATerials (SCANMAT), Central University of Tamil Nadu, Thiruvarur, Tamil Nadu 610005, India.

Physical Chemistry Chemical Physics : PCCP
|November 9, 2019
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Summary

Magnesium decorated 2D-C2N shows excellent hydrogen storage capacity, exceeding Department of Energy targets. This material design overcomes weak H2 interactions for efficient hydrogen storage applications.

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Area of Science:

  • Materials Science
  • Chemistry
  • Physics

Background:

  • Two-dimensional nitrogenated holey graphene (2D-C2N) is a promising material for hydrogen storage due to its low density and high surface area.
  • However, pristine 2D-C2N exhibits weak interactions with H2, limiting its storage capacity.

Purpose of the Study:

  • To investigate the hydrogen storage properties of metal-decorated 2D-C2N using density functional theory.
  • To identify optimal metal decorations for enhancing H2 adsorption and storage capacity.

Main Methods:

  • Density functional theory (DFT) calculations were employed to study metal (Mg, Ca, Ti, V, Mn, Fe, Co, Ni, Cu, Zn) decorated 2D-C2N.
  • Analysis included binding energies, electronic structures, and chemical bonding characteristics.

Main Results:

  • Metal decoration on 2D-C2N showed strong binding, preventing metal clustering.
  • Magnesium (Mg) decorated 2D-C2N achieved 6.79 wt% hydrogen storage capacity with optimal adsorption energy.
  • Mg decoration induced a semiconductor-to-metallic transition and iono-covalent bonding, facilitating H2 adsorption via polarization.

Conclusions:

  • Mg decorated 2D-C2N is a highly promising material for efficient hydrogen storage applications.
  • The study highlights the potential of tailored material design to overcome limitations in hydrogen storage.