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Related Concept Videos

Adsorption of Gases on Solids01:28

Adsorption of Gases on Solids

Adsorption is a process where molecules, known as the adsorbates, accumulate on a surface, which is referred to as the adsorbent or substrate. Occurring at the solid-gas interface, this phenomenon is crucial in various scientific and industrial contexts. The reverse of adsorption is desorption.Two types of adsorptions exist: physical (physisorption) and chemical (chemisorption). Physisorption involves gas molecules held to the solid's surface by relatively weak intermolecular van der Waals...
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Adsorption isotherms are mathematical models that describe how molecules in a gas or liquid phase interact with surfaces. Two of the most common isotherm models are the Langmuir and Freundlich isotherms, which relate to Type I monolayer chemisorption. The Langmuir model is based on four key assumptions:• Adsorption cannot exceed monolayer coverage.• All surface sites are equivalent.• Molecules adsorb only at vacant sites.• There are no interactions between adsorbed molecules.Consider the...
Adsorption Isotherms II01:25

Adsorption Isotherms II

Brunauer, Emmett, and Teller (BET) introduced a theory in 1938 that modified Langmuir's assumptions to explain multilayer physical adsorption. This theory is applicable to Type II isotherms and provides a more realistic picture of adsorption processes. The BET theory assumes a uniform solid surface with localized adsorption sites, where adsorption at one site doesn't affect adsorption at neighboring sites. This theory also allows for the possibility of additional molecules being adsorbed on top...

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Hydrogen adsorption on Ce/SWCNT systems: a DFT study.

Z W Zhang1, W T Zheng, Q Jiang

  • 1Key Laboratory of Automobile Materials, Ministry of Education, Department of Materials Science and Engineering, Jilin University, Changchun 130022, China.

Physical Chemistry Chemical Physics : PCCP
|April 14, 2011
PubMed
Summary
This summary is machine-generated.

Cerium-doped single-walled carbon nanotubes (SWCNTs) show promise for hydrogen storage, capable of adsorbing six H(2) molecules per cerium atom. This metal-doped nanomaterial offers favorable adsorption energy and high uptake capacity for clean energy applications.

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Published on: February 1, 2020

Area of Science:

  • Materials Science
  • Nanotechnology
  • Physical Chemistry

Background:

  • Hydrogen storage is crucial for clean energy technologies.
  • Single-walled carbon nanotubes (SWCNTs) and graphene are investigated for their potential in hydrogen storage.
  • Doping with metals can enhance the hydrogen adsorption properties of nanomaterials.

Purpose of the Study:

  • To investigate hydrogen adsorption on cerium (Ce)-doped single-walled carbon nanotubes (SWCNTs) and graphene.
  • To determine the optimal site for Ce adsorption and its effect on hydrogen storage capacity.
  • To understand the electronic interactions governing hydrogen binding to Ce-doped SWCNTs.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Investigated adsorption energies and binding mechanisms.
  • Analyzed electronic structure and orbital hybridization.

Main Results:

  • Cerium (Ce) preferentially adsorbs on the hollow site of SWCNTs and graphene.
  • The Ce/SWCNT system demonstrates significant hydrogen storage potential, adsorbing six H(2) molecules per Ce atom.
  • A storage capacity of 5.14 wt% H(2) was calculated for the Ce(3)/SWCNT system.
  • Ce doping significantly enhances hydrogen adsorption compared to other metal-doped SWCNTs.
  • Hybridization between Ce orbitals (4f, 5d) and H orbitals facilitates H(2) binding.

Conclusions:

  • Cerium-doped SWCNTs are excellent candidates for efficient hydrogen storage.
  • The electronic structure, specifically Ce-4f electron participation, plays a key role in hydrogen adsorption.
  • The curvature of SWCNTs influences the binding energies and adsorption characteristics.