Diffusion of the first hydrogen
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This page describes the diffusion of the first hydrogen off the hydrogenated ad-dimer. The diffusion of the second hydrogen is shown here. You can see an animated GIF of the whole process here for the direct diffusion path and here for the path via the meta-stable state (WARNING: Large Files). Below, there is a graph of the energy for diffusion directly (open circles and dashed line) and via the meta-stable state (open squares and dot-dashed line) which is clickable: click on any of the points on the graph and you will be taken to an image showing the atomic structure at that point. Then click back on your browser to go back to the graph, or click the back link below the image.

Graph of diffusion energy for first hydrogen *CLICKABLE* Starting point Direct: Image 1 Direct: Image 2 Direct: Image 3 Direct: Image 4 (Saddle point) Direct: Image 5 Direct: Image 6 Direct: Image 7 Direct: Image 8 End point Into meta: Image 1 Into meta: Image 2 Into meta: Image 3 Into meta: Image 4 Into meta: Image 5 (Saddle point) Into meta: Image 6 Into meta: Image 7 Into meta: Image 8 Meta-stable state Out of meta: Image 1 Out of meta: Image 2 Out of meta: Image 3 Out of meta: Image 4 (Saddle point) Out of meta: Image 5 Out of meta: Image 6 Out of meta: Image 7 Out of meta: Image 8

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David Bowler