Negreiros FR - Search Results

1

Modelling the metal-on-top effect for Pd clusters on the MgO{100} substrate.

Atanasov I, Barcaro G, Negreiros FR, Fortunelli A, Johnston RL. Atanasov I, et al. Among authors: negreiros fr. J Chem Phys. 2013 Jun 14;138(22):224703. doi: 10.1063/1.4807725. J Chem Phys. 2013. PMID: 23781811

2

Structures of gas-phase Ag-Pd nanoclusters: a computational study.

Negreiros FR, Kuntová Z, Barcaro G, Rossi G, Ferrando R, Fortunelli A. Negreiros FR, et al. J Chem Phys. 2010 Jun 21;132(23):234703. doi: 10.1063/1.3442911. J Chem Phys. 2010. PMID: 20572730

3

Communication: Striking dependence of diffusion kinetics in Ag-Cu nanoalloys upon composition and quantum effects.

Asgari M, Negreiros FR, Sementa L, Barcaro G, Behnejad H, Fortunelli A. Asgari M, et al. Among authors: negreiros fr. J Chem Phys. 2014 Jul 28;141(4):041108. doi: 10.1063/1.4891564. J Chem Phys. 2014. PMID: 25084874

4

Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag3/MgO(100).

Sementa L, Barcaro G, Negreiros FR, Fortunelli A. Sementa L, et al. Among authors: negreiros fr. Phys Chem Chem Phys. 2014 Dec 28;16(48):26570-7. doi: 10.1039/c4cp02135e. Phys Chem Chem Phys. 2014. PMID: 25144389

5

The atomistic origin of the extraordinary oxygen reduction activity of Pt₃Ni₇ fuel cell catalysts.

Fortunelli A, Goddard WA III, Sementa L, Barcaro G, Negreiros FR, Jaramillo-Botero A. Fortunelli A, et al. Among authors: negreiros fr. Chem Sci. 2015 Jul 1;6(7):3915-3925. doi: 10.1039/c5sc00840a. Epub 2015 Apr 29. Chem Sci. 2015. PMID: 29218162 Free PMC article.

6

Kinetics of chemical ordering in a Ag-Pt nanoalloy particle via first-principles simulations.

Negreiros FR, Taherkhani F, Parsafar G, Caro A, Fortunelli A. Negreiros FR, et al. J Chem Phys. 2012 Nov 21;137(19):194302. doi: 10.1063/1.4759507. J Chem Phys. 2012. PMID: 23181301

7

Direct atomic imaging and density functional theory study of the Au24Pd1 cluster catalyst.

Bruma A, Negreiros FR, Xie S, Tsukuda T, Johnston RL, Fortunelli A, Li ZY. Bruma A, et al. Among authors: negreiros fr. Nanoscale. 2013 Oct 21;5(20):9620-5. doi: 10.1039/c3nr01852k. Nanoscale. 2013. PMID: 23764617

8

Communication: Kinetics of chemical ordering in Ag-Au and Ag-Ni nanoalloys.

Calvo F, Fortunelli A, Negreiros F, Wales DJ. Calvo F, et al. J Chem Phys. 2013 Sep 21;139(11):111102. doi: 10.1063/1.4821582. J Chem Phys. 2013. PMID: 24070271

9

A first-principles theoretical approach to heterogeneous nanocatalysis.

Negreiros FR, Aprà E, Barcaro G, Sementa L, Vajda S, Fortunelli A. Negreiros FR, et al. Nanoscale. 2012 Feb 21;4(4):1208-19. doi: 10.1039/c1nr11051a. Epub 2011 Nov 7. Nanoscale. 2012. PMID: 22057595

10

Interface effects on the magnetism of CoPt-supported nanostructures.

Barcaro G, Sementa L, Negreiros FR, Ferrando R, Fortunelli A. Barcaro G, et al. Among authors: negreiros fr. Nano Lett. 2011 Dec 14;11(12):5542-7. doi: 10.1021/nl203449y. Epub 2011 Nov 21. Nano Lett. 2011. PMID: 22088144

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