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Related Concept Videos

Distribution of Molecular Speeds01:27

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The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...
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Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
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Although gaseous molecules travel at tremendous speeds (hundreds of meters per second), they collide with other gaseous molecules and travel in many different directions before reaching the desired target. At room temperature, a gaseous molecule will experience billions of collisions per second. The mean free path is the average distance a molecule travels between collisions. The mean free path increases with decreasing pressure; in general, the mean free path for a gaseous molecule will be...
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For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
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Fabrication of Gate-tunable Graphene Devices for Scanning Tunneling Microscopy Studies with Coulomb Impurities
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Molecular mobility on graphene nanoribbons.

M Jafary-Zadeh1, C D Reddy, Y-W Zhang

  • 1Institute of High Performance Computing, A*STAR, Singapore 138632, Singapore. zhangyw@ihpc.a-star.edu.sg.

Physical Chemistry Chemical Physics : PCCP
|December 19, 2013
PubMed
Summary

Molecular dynamics simulations reveal graphene nanoribbon twisting significantly impacts admolecule mobility, causing helical trajectories on narrow ribbons. Wider ribbons show planar motion, highlighting twisting as key to nanoscale transport.

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Physics

Background:

  • Graphene nanoribbons (GNRs) are proposed for nanoscale mass transport.
  • Factors influencing admolecule mobility on GNRs, such as edge effects and ribbon geometry, are not well understood.

Purpose of the Study:

  • To investigate the surface mobility of C60 admolecules on pristine GNRs.
  • To elucidate the effects of edge confinement, rippling, twisting, and thermal fluctuations on admolecule transport.

Main Methods:

  • Molecular dynamics (MD) simulations were employed to model admolecule behavior on GNRs.
  • Simulations analyzed the influence of GNR width and thermal fluctuations on C60 mobility.

Main Results:

  • GNR absorption and edge energies confine admolecule motion to one side.
  • Narrow GNR twisting combined with thermal fluctuations induces helical admolecule trajectories, significantly altering mobility.
  • Increased GNR width reduces twisting, leading to planar admolecule motion.

Conclusions:

  • GNR twisting, not just geometrical confinement, dictates distinct molecular mobility on narrow ribbons.
  • Findings identify critical factors controlling GNR-based mass transport highways.