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MDS: Materials of different compositions

Metal Decorated Silsesquioxane Matrix 0% Titanium and Low Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Metal Decorated Silsesquioxane 50% Titanium Low Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 50% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.



Metal Decorated Silsesquioxane Matrix 100% Titanium and Low Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 100% titanium and at low density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.



Metal Decorated Silsesquioxane 0% Titanium High Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 0% titanium and at high density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.



Metal Decorated Silsesquioxane 50% Titanium High Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 50% titanium and at high density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.



Metal Decorated Silsesquioxane 100% Titanium High Density



This image shows an atomistic model (spacefilling) of the structure in a Metal Decorated Silsesquioxane (MD-Si8O12) matrix with 100% titanium and at high density. The cubic simulation cell has a side length of 50 Å and contains a periodic structure.

Color Legend:

  • beige = silicon
  • blue = adsorbed H2
  • dark gray = carbon
  • green = chlorine
  • light gray = titanium
  • maroon = absorbed CH4
  • red = oxygen
  • white = hydrogen

posted: May 2014.
updated: May 2014.