DOI: 10.1142/s0219581x04002450. COMPUTATIONAL STUDY OF TERNARY ALLOY NANOCLUSTER COMPOSITIONAL STRUCTURES: Ni–Cu–Rh VERSUS Ni–Cu

COMPUTATIONAL STUDY OF TERNARY ALLOY NANOCLUSTER COMPOSITIONAL STRUCTURES: Ni–Cu–Rh VERSUS Ni–Cu–Pd

10.1142/s0219581x04002450

Crossref journal-article

World Scientific Pub Co Pte Lt

International Journal of Nanoscience (219)

Abstract

The Free-energy Concentration Expansion Method (FCEM) was utilized for the prediction of compositional structures in Ni – Cu – Rh cubo-octahedron nanoclusters in comparison to recently reported Ni – Cu – Pd data. While both systems exhibit site-specific, sequentially competitive surface segregation (and resultant core separations), remarkable differences governed by the opposite heteronuclear effective interactions, were noted in the surface compositional patterns. Thus, at relatively low temperatures "mixed" Cu/Pd ordering takes place at the Ni – Cu – Pd cluster surface, whereas in the Ni – Cu – Rh cluster Cu and Ni populate separate low and high-coordinated surface sites, thus forming a kind of "demixed surface order". Dissimilarities in the temperature dependence are discussed in terms of the interplay of segregation and compositional order. Such findings may have implications in heterogeneous catalysis and other technologies based on highly dispersed alloyed particles.

Bibliography

POLAK, M., & RUBINOVICH, L. (2004). COMPUTATIONAL STUDY OF TERNARY ALLOY NANOCLUSTER COMPOSITIONAL STRUCTURES: NiâCuâRh VERSUS NiâCuâPd. International Journal of Nanoscience, 03(04n05), 625â630.

Authors 2

M. POLAK (first)
L. RUBINOVICH (additional)

References 21 Referenced 9

10.1142/4618 / The Physics and Chemistry of Clusters — Proc. of Nobel Symp. 117 by Campbell E. E. B. (2001)
10.1007/978-1-4612-1294-2
10.1103/PhysRevB.66.045413
10.1016/0039-6028(93)90601-F
10.1016/0021-9517(89)90120-6
10.1006/jcat.1997.1586
10.1006/jcat.1997.1588
10.1063/1.469261
10.1016/S0921-4526(99)00177-5
10.1002/qua.1524
10.1021/la0014306
10.1006/jcat.1994.1244
10.1063/1.470831
{'key': 'rf14', 'first-page': '8723', 'volume': '35', 'author': 'Yang L.', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B by Yang L.
10.1016/S0039-6028(02)01353-5
10.1103/PhysRevB.69.155405
10.1103/PhysRevLett.78.1058
10.1016/S0167-5729(99)00010-2
10.1088/0953-8984/11/49/308
10.1016/S1571-0785(02)80090-6
10.1103/PhysRevB.65.205404

Dates

Type	When
Created	20 years, 8 months ago (Dec. 9, 2004, 8:25 p.m.)
Deposited	6 years ago (Aug. 7, 2019, 12:27 p.m.)
Indexed	2 years ago (Aug. 4, 2023, 4:23 a.m.)
Issued	21 years, 1 month ago (Aug. 1, 2004)
Published	21 years, 1 month ago (Aug. 1, 2004)
Published Online	13 years, 9 months ago (Nov. 21, 2011)
Published Print	21 years, 1 month ago (Aug. 1, 2004)

Funders 0

None

BibTeX

@article{POLAK_2004, title={COMPUTATIONAL STUDY OF TERNARY ALLOY NANOCLUSTER COMPOSITIONAL STRUCTURES: Ni–Cu–Rh VERSUS Ni–Cu–Pd}, volume={03}, ISSN={1793-5350}, url={http://dx.doi.org/10.1142/s0219581x04002450}, DOI={10.1142/s0219581x04002450}, number={04n05}, journal={International Journal of Nanoscience}, publisher={World Scientific Pub Co Pte Lt}, author={POLAK, M. and RUBINOVICH, L.}, year={2004}, month=aug, pages={625–630} }

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