Toward in silico modeling of palladium-hydrogen-carbon nanohorn nanocomposites.
Kowalczyk P, Terzyk AP, Gauden PA, Furmaniak S, Kaneko K.
Kowalczyk P, et al.
Phys Chem Chem Phys. 2014 Jun 21;16(23):11763-9. doi: 10.1039/c4cp01345j. Epub 2014 May 9.
Phys Chem Chem Phys. 2014.
PMID: 24817487
Temperature-quench Monte Carlo simulations are used to generate the most stable morphologies of Pd81 clusters (cluster sizes of 2 nm) deposited inside the morphologically defective single-walled carbon nanohorns (S. Furmaniak, A. P. Terzyk, K. Kaneko, P. A. Gauden, …
Temperature-quench Monte Carlo simulations are used to generate the most stable morphologies of Pd81 clusters (cluster sizes of 2 nm) deposi …