Oren Hershcovitz
Hydrogen diffusion in diamond webpage
H diffustion at different temp.| here
| H2 diffusion | here
| H diffusion in a large matrix | here
| H diffusion effects on C bonds | here
| Different orientation of H2 | here
| H diffusion at different initial positions | here
| H2 and one free H | here
| H diffusion at various boundary conditions | here
| H diffusion in a column of frozen diamond | here
| 2 molecules of H2 | click.
| H2 and H at 1200oK | click
| H2 and H at 800oK | click
| H2 and a far H in a free boundary | click
| H2 and a far H | click
| Shortcut to DOS of H in a free boundary | click
| Measurements of hydrogen in Carbon canals | Click
| Measurements of H2 in Carbon canals | Click
| Shortcut to distances of H and Carbons | Click
| Movement of C and H / H2 | Click
| 6 Hydrogens in a diamond | Click
| 8 Hydrogens (12.5%) in diamond | Click
| DOS webpage | Updated | 17/10 frozen bottom, thin diamond film, free up | Updated | 9/10 Di-->a.Di transformation @ 40000K | Here
| 2 hydrogens in a semi-frozen matrix | Updated | 15/10 2/3 hydrogens in semi-frozen | Updated | 26/10 216 atoms Di-->a.Di | Updated | 7/11 300oK | Updated | 9/11 H(s) in a-Di/DioK | Updated | 24/11 sp2 / sp3 ratio | Updated | 1/12 2 and 3 H in ta-C/Di composite | Updated | 31/12 RDF for samples | Updated | 6/01 |
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Simulation underway..
4 Hydrogens (no H1 & H3)| no results @500K | or @300K Done
| 216 atoms diamond-->a.diam transformation gave no results | Image | Done
| * Big * diamond-->a.diam transformation @ 33000K | Image | unsuccesful
| 6 Hydrogens @ 700K | no results @1000K | or @800K partial @750K 700K completed Done
| Calculation errors @ no boundaries for pure diamond | or for unbounded 6hc | Done
| No tightbinding parameters for Deuterium | Done
| phjoan9: more then 1 hydrogen atom in steves' sample | wierd result
| 512 atoms Di-->a.Di. transformation @ 40000K | SUCCESS! | Click
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Next simulations to be done
hydrogen on surface of diamond (p-type semiconductor)| DOS | compared to H in diamond (n-type) make a vacancy after onced run | 1)DOS | 2)freeze the vacancy area place hydrogens above the diamond surface | 1,2 and 3 hydrogens
| Anastasy -- can total energy be calculated? |
| perform 6hc in low temp (~300K) step by step |
| Cool transformation |
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