Point island models for nucleation and growth of supported nanoclusters during surface deposition

Han, Yong; Gaudry, Émilie; Oliveira, Tiago J.; Evans, James W.

doi:10.1063/1.4954410

Title: Point island models for nucleation and growth of supported nanoclusters during surface deposition

Journal Article · Wed Nov 30 00:00:00 EST 2016 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4954410· OSTI ID:1495702

Han, Yong ^[1]; Gaudry, Émilie ^[2]; Oliveira, Tiago J. ^[3];

^[4]

Iowa State Univ., Ames, IA (United States)
Univ. de Lorraine, Cedex, (France)
Iowa State Univ., Ames, IA (United States); Univ. Federal de Vicosa (Brazil)
Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)

Point island models (PIMs) are presented for the formation of supported nanoclusters (or islands) during deposition on flat crystalline substrates at lower submonolayer coverages. These models treat islands as occupying a single adsorption site, although carrying a label to track their size (i.e., they suppress island structure). However, they are particularly effective in describing the island size and spatial distributions. In fact, these PIMs provide fundamental insight into the key features for homogeneous nucleation and growth processes on surfaces. PIMs are also versatile being readily adapted to treat both diffusion-limited and attachment-limited growth and also a variety of other nucleation processes with modified mechanisms. Their behavior is readily and precisely assessed by kinetic Monte Carlo simulation.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1495702

Journal Information:: Journal of Chemical Physics, Vol. 145, Issue 21; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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References (56)

Exact island-size distributions for submonolayer deposition: Influence of correlations between island size and separation Bartelt, M. C.; Evans, J. W. Physical Review B, Vol. 54, Issue 24 https://doi.org/10.1103/physrevb.54.r17359	journal	December 1996
Saturation and scaling of epitaxial island densities Ratsch, C.; Zangwill, A.; Šmilauer, P. Physical Review Letters, Vol. 72, Issue 20 https://doi.org/10.1103/PhysRevLett.72.3194	journal	May 1994
Modeling of Island Formation During Submonolayer Deposition: A Stochastic Geometry-Based Simulation Approach Li, Maozhi; Evans, J. W. Multiscale Modeling & Simulation, Vol. 3, Issue 3 https://doi.org/10.1137/040606569	journal	January 2005
Terrace sizes in molecular beam epitaxy Villain, Jacques; Pimpinelli, Alberto; Tang, Leihan Journal de Physique I, Vol. 2, Issue 11 https://doi.org/10.1051/jp1:1992271	journal	November 1992
Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling Engstfeld, Albert K.; Hoster, Harry E.; Behm, R. Juergen Physical Review B, Vol. 86, Issue 8 https://doi.org/10.1103/PhysRevB.86.085442	journal	August 2012
Nucleation and growth of thin films Venables, J. A.; Spiller, G. D. T.; Hanbucken, M. Reports on Progress in Physics, Vol. 47, Issue 4 https://doi.org/10.1088/0034-4885/47/4/002	journal	April 1984
Crossover scaling during submonolayer epitaxy onvicinal substrates Bales, G. S. Surface Science, Vol. 356, Issue 1-3 https://doi.org/10.1016/0039-6028(96)00675-9	journal	June 1996
Heterogeneous Nucleation of Crystals from Vapor Pound, G. M.; Simnad, M. T.; Yang, Ling The Journal of Chemical Physics, Vol. 22, Issue 7 https://doi.org/10.1063/1.1740336	journal	July 1954
Dynamical nucleation theory: Calculation of condensation rate constants for small water clusters Kathmann, Shawn M.; Schenter, Gregory K.; Garrett, Bruce C. The Journal of Chemical Physics, Vol. 111, Issue 10 https://doi.org/10.1063/1.479230	journal	September 1999
Theory of the island and capture zone size distributions in thin film growth Mulheran, P. A.; Robbie, D. A. Europhysics Letters (EPL), Vol. 49, Issue 5 https://doi.org/10.1209/epl/i2000-00195-4	journal	March 2000
Initial Stages of Thin Film Growth in the Presence of Island-Edge Barriers Kandel, Daniel Physical Review Letters, Vol. 78, Issue 3 https://doi.org/10.1103/PhysRevLett.78.499	journal	January 1997
Nucleation with a critical cluster size of zero: Submonolayer Fe inclusions in Cu(100) Chambliss, David D.; Johnson, Kevin E. Physical Review B, Vol. 50, Issue 7 https://doi.org/10.1103/PhysRevB.50.5012	journal	August 1994
Kinetische Behandlung der Keimbildung in übersättigten Dämpfen Becker, R.; Döring, W. Annalen der Physik, Vol. 416, Issue 8 https://doi.org/10.1002/andp.19354160806	journal	January 1935
Critical Cluster Size: Island Morphology and Size Distribution in Submonolayer Epitaxial Growth Amar, Jacques G.; Family, Fereydoon Physical Review Letters, Vol. 74, Issue 11 https://doi.org/10.1103/PhysRevLett.74.2066	journal	March 1995
Scaling of heteroepitaxial island sizes Ratsch, C.; Zangwill, A.; Šmilauer, P. Surface Science, Vol. 314, Issue 3 https://doi.org/10.1016/0039-6028(94)90231-3	journal	August 1994
Crossover from Anisotropic-to-Isotropic Diffusion-Mediated Island Growth on Surfaces Bartelt, M. C.; Evans, J. W. Europhysics Letters (EPL), Vol. 21, Issue 1 https://doi.org/10.1209/0295-5075/21/1/017	journal	January 1993
Kinetics of Phase Change. I General Theory Avrami, Melvin The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112 https://doi.org/10.1063/1.1750380	journal	December 1939
Level set simulation of directed self-assembly during epitaxial growth Niu, X.; Vardavas, R.; Caflisch, R. E. Physical Review B, Vol. 74, Issue 19 https://doi.org/10.1103/PhysRevB.74.193403	journal	November 2006
Island Nucleation in Thin-Film Epitaxy: A First-Principles Investigation Fichthorn, Kristen A.; Scheffler, Matthias Physical Review Letters, Vol. 84, Issue 23 https://doi.org/10.1103/PhysRevLett.84.5371	journal	June 2000
Place-exchange as a mechanism for adlayer island nucleation during epitaxial growth and resulting scaling behavior Meyer, J. A.; Behm, R. J. Surface Science, Vol. 322, Issue 1-3 https://doi.org/10.1016/0039-6028(95)90010-1	journal	January 1995
Scaling functions for island-size distributions Vvedensky, D. D. Physical Review B, Vol. 62, Issue 23 https://doi.org/10.1103/PhysRevB.62.15435	journal	December 2000
Geometry-based simulation of submonolayer film growth Li, Maozhi; Bartelt, M. C.; Evans, J. W. Physical Review B, Vol. 68, Issue 12 https://doi.org/10.1103/PhysRevB.68.121401	journal	September 2003
Rate of Nucleation in Condensed Systems Turnbull, D.; Fisher, J. C. The Journal of Chemical Physics, Vol. 17, Issue 1 https://doi.org/10.1063/1.1747055	journal	January 1949
Level-set simulation for the strain-driven sharpening of the island-size distribution during submonolayer heteroepitaxial growth Ratsch, C.; DeVita, J.; Smereka, P. Physical Review B, Vol. 80, Issue 15 https://doi.org/10.1103/PhysRevB.80.155309	journal	October 2009
Scaling analysis of diffusion-mediated island growth in surface adsorption processes Bartelt, M. C.; Evans, J. W. Physical Review B, Vol. 46, Issue 19 https://doi.org/10.1103/PhysRevB.46.12675	journal	November 1992
Island sizes and capture zone areas in submonolayer deposition: Scaling and factorization of the joint probability distribution Evans, J. W.; Bartelt, M. C. Physical Review B, Vol. 66, Issue 23 https://doi.org/10.1103/PhysRevB.66.235410	journal	December 2002
Dimer binding energies on fcc() metal surfaces Busse, Carsten; Langenkamp, Winfried; Polop, Celia Surface Science, Vol. 539, Issue 1-3 https://doi.org/10.1016/S0039-6028(03)00814-8	journal	August 2003
Dynamics of irreversible island growth during submonolayer epitaxy Bales, G. S.; Chrzan, D. C. Physical Review B, Vol. 50, Issue 9 https://doi.org/10.1103/PhysRevB.50.6057	journal	September 1994
Scaling Theory of Island Growth in Thin Films Blackman, J. A.; Wilding, A. Europhysics Letters (EPL), Vol. 16, Issue 1 https://doi.org/10.1209/0295-5075/16/1/020	journal	September 1991
Surface diffusion and island density Pimpinelli, Alberto; Villain, Jacques; Wolf, Dietrich E. Physical Review Letters, Vol. 69, Issue 6 https://doi.org/10.1103/PhysRevLett.69.985	journal	August 1992
Rate-Equation Approach to Island Capture Zones and Size Distributions in Epitaxial Growth Amar, Jacques G.; Popescu, Mihail N.; Family, Fereydoon Physical Review Letters, Vol. 86, Issue 14 https://doi.org/10.1103/PhysRevLett.86.3092	journal	April 2001
Nucleation, adatom capture, and island size distributions: Unified scaling analysis for submonolayer deposition Evans, J. W.; Bartelt, M. C. Physical Review B, Vol. 63, Issue 23 https://doi.org/10.1103/PhysRevB.63.235408	journal	May 2001
Evolution to equilibrium of the shape of an island formed by the aggregation of adsorbed atoms Shao, Hongxiao; Liu, Shudun; Metiu, Horia Physical Review B, Vol. 51, Issue 12 https://doi.org/10.1103/PhysRevB.51.7827	journal	March 1995
The origins of island size scaling in heterogeneous film growth Mulheran, P. A.; Blackman, J. A. Philosophical Magazine Letters, Vol. 72, Issue 1 https://doi.org/10.1080/09500839508241614	journal	July 1995
Universal Distributions Generated in a Nucleation Pulse Shneidman, Vitaly A. Physical Review Letters, Vol. 101, Issue 20 https://doi.org/10.1103/PhysRevLett.101.205702	journal	November 2008
Mean-Field Nucleation Theory with Nonlocal Interactions Ovesson, Staffan Physical Review Letters, Vol. 88, Issue 11 https://doi.org/10.1103/PhysRevLett.88.116102	journal	February 2002
High Island Densities and Long Range Repulsive Interactions: Fe on Epitaxial Graphene Binz, S. M.; Hupalo, M.; Liu, Xiaojie Physical Review Letters, Vol. 109, Issue 2 https://doi.org/10.1103/PhysRevLett.109.026103	journal	July 2012
A versatile fabrication method for cluster superlattices N'Diaye, Alpha T.; Gerber, Timm; Busse, Carsten New Journal of Physics, Vol. 11, Issue 10 https://doi.org/10.1088/1367-2630/11/10/103045	journal	October 2009
Singularities and Spatial Fluctuations in Submonolayer Epitaxy Vvedensky, D. D.; Ratsch, C.; Gibou, F. Physical Review Letters, Vol. 90, Issue 18 https://doi.org/10.1103/PhysRevLett.90.189601	journal	May 2003
Coarsening of Two-Dimensional Nanoclusters on Metal Surfaces Thiel, Patricia A.; Shen, Mingmin; Liu, Da-Jiang The Journal of Physical Chemistry C, Vol. 113, Issue 13 https://doi.org/10.1021/jp8063849	journal	March 2009
Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei Avrami, Melvin The Journal of Chemical Physics, Vol. 8, Issue 2 https://doi.org/10.1063/1.1750631	journal	February 1940
Granulation, Phase Change, and Microstructure Kinetics of Phase Change. III Avrami, Melvin The Journal of Chemical Physics, Vol. 9, Issue 2, p. 177-184 https://doi.org/10.1063/1.1750872	journal	February 1941
Morphological evolution during epitaxial thin film growth: Formation of 2D islands and 3D mounds Evans, J. W.; Thiel, P. A.; Bartelt, M. C. Surface Science Reports, Vol. 61, Issue 1-2 https://doi.org/10.1016/j.surfrep.2005.08.004	journal	April 2006
Nature, Strength, and Consequences of Indirect Adsorbate Interactions on Metals Bogicevic, A.; Ovesson, S.; Hyldgaard, P. Physical Review Letters, Vol. 85, Issue 9 https://doi.org/10.1103/PhysRevLett.85.1910	journal	August 2000
Activation energy for surface diffusion of Si on Si(001): A scanning-tunneling-microscopy study Mo, Y. W.; Kleiner, J.; Webb, M. B. Physical Review Letters, Vol. 66, Issue 15 https://doi.org/10.1103/PhysRevLett.66.1998	journal	April 1991
Determining whether metals nucleate homogeneously on graphite: A case study with copper Appy, David; Lei, Huaping; Han, Yong Physical Review B, Vol. 90, Issue 19 https://doi.org/10.1103/PhysRevB.90.195406	journal	November 2014
Nucleation of Vapor Deposits Walton, D. The Journal of Chemical Physics, Vol. 37, Issue 10 https://doi.org/10.1063/1.1732985	journal	November 1962
Atomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene Han, Yong; Engstfeld, Albert K.; Behm, R. Juergen The Journal of Chemical Physics, Vol. 138, Issue 13 https://doi.org/10.1063/1.4798348	journal	April 2013
Bimetallic Pt−Au Clusters on TiO ₂ (110): Growth, Surface Composition, and Metal−Support Interactions Park, J. B.; Conner, S. F.; Chen, D. A. The Journal of Physical Chemistry C, Vol. 112, Issue 14 https://doi.org/10.1021/jp076027n	journal	March 2008
Island Size and Environment Dependence of Adatom Capture: Cu/Co Islands on Ru(0001) Bartelt, M. C.; Schmid, A. K.; Evans, J. W. Physical Review Letters, Vol. 81, Issue 9 https://doi.org/10.1103/PhysRevLett.81.1901	journal	August 1998
Nucleation And Growth Of Thin Films Vook, Richard W. Optical Engineering, Vol. 23, Issue 3 https://doi.org/10.1117/12.7973291	journal	June 1984
Island Size and Environment Dependence of Adatom Capture: Cu/Co Islands on Ru(0001) Bartelt, M. C.; Evans, J. W.; Schmid, A. K. MRS Proceedings, Vol. 528 https://doi.org/10.1557/proc-528-253	journal	January 1998
Rate-Equation Approach to Island Capture Zones and Size Distributions in Epitaxial Growth Amar, Jacques G.; Family, Fereydoon; Popescu, Mihail N. The American Physical Society https://doi.org/10.17877/de290r-6989	text	January 2001
A versatile fabrication method for cluster superlattices N'Diaye, Alpha T.; Gerber, Timm; Busse, Carsten arXiv https://doi.org/10.48550/arxiv.0908.3800	text	January 2009
Scaling of Heteroepitaxial Island Sizes Ratsch, C.; Zangwill, A.; Šmilauer, P. arXiv https://doi.org/10.48550/arxiv.cond-mat/9406066	text	January 1994
Initial stages of thin film growth in the presence of island-edge barriers Kandel, Daniel arXiv https://doi.org/10.48550/arxiv.cond-mat/9804155	text	January 1998

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