Toward in silico modeling of palladium–hydrogen–carbon nanohorn nanocomposites
We present the first in silico modeling of the Pd–H-single-walled carbon nanohorn nanocomposites. Temperature-quench Monte Carlo simulations are used to generate the most stable morphologies ofPd81 clusters (cluster sizes of ~2 nm) deposited inside the morphologically defective single-walled carbon...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Royal Society of Chemistry
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/44105 |