Molecular dynamics study of palladium clusters: size dependent analysis of structural stabilities and energetics of Pdn (n ≤ 40) via a Lennard-Jones type potential
Summary: Possible stable structures and energetics of palladium clusters, Pdn (n = 2–40), have been investigated by performing molecular-dynamics simulations based on a Lennard-Jones type pairpotential. To determine a preferable growth mechanism, the growing pattern of Pdn clusters was analyzed via...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000717391/Details |
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| Matična publikacija: |
Croatica chemica acta 81 (2008), 2 ; str. 289-297 |
| Glavni autor: | Boyukata, Mustafa (-) |
| Ostali autori: | Belchior, Jadson C. (-) |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
CROATICA CHEMICA ACTA |
| LEADER | 01793caa a2200313 ir4500 | ||
|---|---|---|---|
| 001 | NSK01000717391 | ||
| 003 | HR-ZaNSK | ||
| 005 | 20151214133004.0 | ||
| 007 | ta | ||
| 008 | 091027s2008 ci ||| ||eng | ||
| 035 | |9 (HR-ZaNSK)719965 | ||
| 035 | |a (HR-ZaNSK)000717391 | ||
| 040 | |a HR-ZaNSK |b hrv |c HR-ZaNSK |e ppiak | ||
| 041 | 0 | |a eng |b hrv | |
| 042 | |a croatica | ||
| 080 | |a 54 |2 MRF 1998. | ||
| 100 | 1 | |a Boyukata, Mustafa | |
| 245 | 1 | 0 | |a Molecular dynamics study of palladium clusters: size dependent analysis of structural stabilities and energetics of Pdn (n ≤ 40) via a Lennard-Jones type potential / |c Mustafa Böyükata, Jadson C. Belchior. |
| 300 | |b Ilustr. | ||
| 500 | |a 22nd Dubrovnik International Course & Conference MATH / CHEM / COMP 2007, Dubrovnik, June 11–16, 2007 | ||
| 504 | |a Bibliografija: 55 jed | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: Possible stable structures and energetics of palladium clusters, Pdn (n = 2–40), have been investigated by performing molecular-dynamics simulations based on a Lennard-Jones type pairpotential. To determine a preferable growth mechanism, the growing pattern of Pdn clusters was analyzed via rearrangement collisions and the simple quenching technique. Main observed results are that palladium clusters prefer three-dimensional structures and spherical clusters of medium size appear to have five-fold symmetry. The results are compared with those from previous theoretical studies | |
| 653 | 0 | |a Paladij |a Molekularna dinamika |a Lennard-Jonesov potencijal | |
| 700 | 1 | |a Belchior, Jadson C. | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 81 (2008), 2 ; str. 289-297 |w nsk.(HR-ZaNSK)000001621 | |
| 981 | |b B10/08 |p CRO | ||
| 998 | |a rado091027 |c vol2o120829 | ||
| 856 | 4 | 2 | |u http://public.carnet.hr/ccacaa/ |y CROATICA CHEMICA ACTA |