Credentials
Education
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B.Sc. (Hons) Mathematics, University of Melbourne 1975
Ph.D. Mathematical Physics, University of Adelaide 1979
Postdoc Chemical Physics, Ames Laboratory, Iowa State U 1979-1981
Professional Appointments
-
2010-present Professor, Dept. Physics & Astronomy, Iowa State University
1991-present Professor (1996-present), Associate Professor (1991-1996),
Department of Mathematics, Iowa State University
2008-present Professor of Chemistry (Graduate Faculty), Iowa State U.
1982-present Project Leader (2004-present); (Sr.) Faculty Scientist (1996-); Chemist (1993-96), Assoc. Physicist (1983-93), Asst. Chemist (1982-83), Division of Chemical & Biological Sciences, Ames Laboratory – USDOE
2009 Visiting scientist IMA-U Minnesota, IOP-CAS Beijing.
2000 Visiting Prof., Ecole des Mines/Univ. Henri Poincare Nancy I, France
1991 Visiting Scientist, Fritz Haber Institut der MPG, Berlin, Germany
1989-1991 Adjunct Assoc. Prof., Dept. Math and Physics, Iowa State U.
Honors & Awards
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Fellow, American Physical Society – Divn. Condensed Matter Physics (2002-)
American Physical Society (APS) Outstanding Referee 2015
Editorial Board, Nanomaterials (MDPI) 2020-
Editorial Board, Surface Science (Elsevier) 2015-
Editorial Board Computational Materials Science (Elsevier) 2014-17
Editorial Board, J. Chemical Physics 2013-2015
Clarivate Web of Science 11/23: >330 publications; h = 50; cites > 10,130
Google Scholar 11/23: h = 59, cites >13,970
Areas of Expertise
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Current Support: Ames Laboratory Computational & Theoretical Chemistry Program.
Source of Support: USDOE BES – Chemical Sciences Division
Principal Investigator: T.L. Windus; co-PI’s: J.W. Evans, M.S. Gordon, D.-J. Liu
*Amount & Period: $3,000,000 for 10/2023-09/2026; $1,080,000 to JE.
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Current Support: Intercalation of rare earths in aluminosilicates
Source of support: USDOE BES + Ames Lab LDRD
Principle Investigator: T. Prozorov Co-PIs: J.W. Evans et al.
Amount and period: 10/2021-9/2024 ~$2,900,000 -
Current Support: Surface structures far-from-equilibrium
Source of support: USDOE BES – Materials Sciences
Principal Investigator: M. Tringides; Co-PIs: M. Kolmer, et al. Collaborator: J.W. Evans
*Amount and period: 10/2021-9/2024 ~$160,000 support for Evans-group Scientist Y. Han
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Current Support: Development of exascale software for heterogeneous and interfacial catalysis
Source of Support: USDOE BES – Chemical Sciences Division
Principal Investigators: M.S. Gordon; co-PI’s: J.W. Evans, T. Windus and several others
*Amount & Period: ~$4,200,000 for 10/2018-09/2023 (extended to 9/2024); ~$200,000 to JE.
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Recent Support: Environment-dependent coarsening of supported metallic nanoclusters (CHE-1507223)
Source of Support: NSF Chemistry Division: Macro/Supra/Nano
Principle Investigator: P.A. Thiel; Co-PI: J.W. Evans
*Amount & Period: $385,000 for 08/2015 - 08/2020; $170,000 to JE.
Research
Research Projects
Research Interests
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Synthesis and stability of 3D metallic nanocrystals (NCs)
- predictive atomistic-level modeling of reshaping and sintering
- predictive atomistic-level modeling of intermixing in bimetallic NCs -
Epitaxial thin film growth
- fundamental beyond-mean-field theory of submonolayer nucleation & growth (island size and spatial distributions)
- novel simulation strategies (geometry-based simulation)
- multilayer kinetic roughening (including mound slope selection)
- predictive modeling of morphologies: Ag/Ag (111) and (100) -
Assembly of epitaxial nanoclusters during deposition
- modeling of growth shapes with ab-initio kinetics
- analysis of quantum size effects (e.g., inducing bilayer Ag/NiAl110) -
Coarsening for epitaxial thin films
- 2D Ostwald vs Smoluchowski ripening
- additive -enhanced coarsening
- 2D cluster diffusion and sintering -
Chemisorption and catalysis on metal surfaces
- surface reconstruction and complexation
- predictive atomistic-level model of overall catalytic reaction kinetics -
Anomalous transport and reaction in nanoporous systems
- generalized hydrodynamic theory for interplay of rxn and inhibited transport
- full molecular and Langevin modeling of diffusion dynamics -
Spatiotemporal behavior and non-equilibrium phase transitions in reaction-diffusion systems
- heterogeneous multiscale (HCLG) modeling of reaction fronts
- generic 2-phase coexistence in discontinuous transitions
- correlations and fluctuations far from equilibrium (high-P rxn) -
Supported and intercalated 3D nanoclusters on layered materials
- growth shapes and diffusion of 3D supported clusters
- directed-assembly on graphene/fcc(111) metals
- kinetics and energetics of near-surface intercalation -
CURRENT RESEARCH GROUP MEMBERS:
>Da-Jiang Liu, Ames Lab Scientist (PhD 1998 U Maryland)
>Yong Han, Research Scientist (PhD 2007 U Utah)
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FORMER GROUP MEMBERS
>Zheren (Steve) Shen, PhD Applied Math ISU 2023 (postdoc SISU)
>King (Alex) Lai, PhD Physics ISU 2020 (postdoc Humboldt Fellow)
>Andres Garcia, PhD Physics ISU 2017; postdoc 2022 (software eng Gamma 1)
>Renjei Zhao, MSc Physics ISU 2014 (PhD student, U Maryland)
>Jing Wang, PhD AMath ISU 2013 (analyst Amer Inst Research)
>Chi-Jen Wang, PhD AMath ISU 2013 (Assoc Prof Nat Chung Chen U)
>David Ackerman, PhD Chem ISU 2013 (scientist ISU MechE)
>Xiaofang Guo, PhD Physics/AMath ISU 2008 (analyst I-Behavior)
>Marvin Albao, PhD Physics ISU 2006 (Professor U Philippines)
>Maozhi Li, postdoc 2001-2005 (Prof Renmin U)
>Chandana Ghosh, postdoc 2005-2005 (engineer, Siemens)
>Kyle Caspersen, PhD Chem ISU 2001 (scientist LLNL)
>Antonio Cadilhe, postdoc 1997-1999 (researcher, Fed U de Minas)
>Edna James, PhD AMath ISU 1999 (Asst Prof, Algoma U)
>Michael Tammaro, PhD Physics ISU 1997 (teaching Prof, U Rhode Island)
>Maria Bartelt, postdoc 1991-1995 (Science Leader LLNL, deceased)
>Timothy Ray, PhD AMath ISU 1994 (NSA, Prof SE Missouri U)
Chuan Kang, postdoc 1990-1991 (Assoc Dean, Nat U Singapore)
Publications
Thermal shape stability of fcc metal nanocrystals synthesized with facetted non-equilibrium shapes
J. Phys. Chem. C,
2024
DFT analysis of the binding of rare earth nitrates at internal and external surfaces of MCM-22
J. Phys. Chem. C,
2024
First-principles analysis of intercalated Pb structures under buffer-layer graphene on SiC(0001): Pb(111)-, plumbene-, and amorphous-like Pb layers
Phys. Rev. Materials,
2024
Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture
J. Chem. Phys.,
2023
Size-dependent diffusion of supported metal nanoclusters: Mean-field-type treatments and beyond for faceted clusters
Nanoscale Horizons,
2023
Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: a MD study using machine learning potentials
J. Chem. Phys.,
2023
Thermodynamics and Kinetics of Pb Intercalation under Graphene on SiC(0001)
Carbon,
2023
Generic two-phase coexistence in a type-2 Schloegl model for autocatalysis on a square lattice: Analysis via heterogeneous master equations
Phys. Rev. E,
2023
Interlayer spacing in pillared and grafted MCM-22 type silicas: Density functional theory analysis versus experiment
PhysChemChemPhys,
2023
Capturing rare earth elements by synthetic aluminosilicate MCM-22: Mechanistic understanding of Yb(III) capture
ACS Applied Materials & Interfaces,
2023
Efficient Transfer Hydrodehalogenation of Halophenols Catalyzed by Pd Supported on Ceria
Applied Catal. A,
2023
Degeneracy in Intercalated Pb Phases under Buffer-Layer Graphene on SiC(0001) and Diffuse Moiré Spots in Surface Diffraction
J. Phys. Chem. Lett.,
2023
Targeted Dy intercalation under Gr/SiC for tuning its electronic band structure
Phys. Rev. B,
2023
Thermodynamically-driven Formation of Intercalated Cu Carpets from Supported Cu Pyramids on MoS2
J. Phys. Chem. Lett.,
2022
Sulfur-enhanced dynamics of coinage metal(111) surfaces: Step edges vs terraces as locations for metal-sulfur complex formation
J. Vac. Sci. Technol. A,
2022
Rotational and translational diffusion of liquid n-hexane: EFP-based Molecular Dynamics analysis
J. Chem. Phys.,
2022
Modeling of linear nanopores in a-SiO2 tuning pore surface structure
Microporous & Mesoporous Materials,
2022
Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing Machine Learning derived potentials
J. Chem. Phys.,
2022
Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6H-SiC(0001) from first-principles calculations
J. Vac. Sci. Technol.,
2022
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticles
Phys. Chem. Chem. Phys.,
2022
Unusual flat and extended morphology of encapsulated Cu under MoS2
Phys. Rev. Materials,
2022
Preface: Special Collection commemorating the career of Pat Thiel
J. Vac. Sci. Technol. A,
2022
Shape stability of truncated octahedral fcc metal nanocrystals
ACS Applied Materials & Interfaces,
2021
Encapsulation of Metal Nanoparticles at the Surface of a Prototypical Layered Material
Nanoscale,
2021
Sierpiński Structure and Electronic Topology in Bi Thin Films on InSb(111)B Surfaces
Physical Review Letters,
2021
Competitive formation of intercalated versus supported metal nanoclusters during deposition on layered materials with surface point defects
J. Chem. Phys.,
2021
Phase transitions in Schloegl’s second model for autocatalysis on a Bethe lattice
Phys. Rev. E,
2021
Enhanced dynamics of nanostructures on Au(111) with adsorbed S due to Au-S complex formation
ChemPhysChem,
2021
Cover Profile: Enhanced dynamics of nanostructures on Au(111) with adsorbed S due to Au-S complex formation
ChemPhysChem,
2021
Effective Fragment Potential based Molecular Dynamics Studies of Diffusion in Acetone and Hexane
J. Phys. Chem. A,
2021
Mechanism of metal intercalation under graphene through small vacancy defects
J. Phys. Chem. C,
2021
Dy adsorption on and intercalation under graphene on 6H-SiC(0001) surface from first-principles calculations
Phys. Rev. Materials,
2021
Energy barriers for Dy and H penetration through unsupported graphene and graphene unsupported on 6H-SiC(0001) from first-principles calculations
Applied Phys. Lett.,
2021
Reshaping of Truncated Pd Nanocubes: Energetic and Kinetic Analysis Integrating Transmission Electron Microscopy with Atomistic-Level and Coarse-Grained Modeling
ACS Nano,
2020
Selective Hydrogenation of Aqueous Nitrate to Ammonia over Ni2P
ACS Catalysis,
2020
Strain-Driven Metallic Intermixing in Shape-Controlled Multi-layered Core-Shell Nanostructures: Toward Shaped Intermetallics
Angew. Chem. (Int. Ed.),
2020
Thermodynamic Preference for Atom Adsorption on versus Intercalation into Multilayer Graphene
J. Phys. Chem. Lett.,
2020
Surface structure of linear nanopores in amorphous silica: Comparison of pore generation algorithms
J. Chem. Phys.,
2020
Generalized hydrodynamic analysis of transport through finite open nanopores in two-component single-file systems
Phys. Rev. E,
2020
Extended families of critical and stationary droplets for non-equilibrium phase transitions in spatially-discrete bistable systems
Phys. Rev. E,
2020
Equilibrium Shapes of Facetted 3D Metal Nanoclusters Intercalated near the Surface of Layered Materials
J. Phys. Cond. Matt,
2020
Low-index surface energies, cleavage energies, and surface relaxations for crystalline NiAl from first-principles calculations
Surface Science,
2020
Adsorption, intercalation, diffusion, and adhesion of Cu at the 2H-MoS2 (0001) surface from first-principles calculations
Phys. Rev. Research,
2020
Far-From-Equilibrium Growth of Metal Clusters on a Layered Material: Cu on MoS2
New J. Phys.,
2020
Shapes of Fe nanocrystals encapsulated at the graphite surface
New J. Phys.,
2020
Fundamentals of Au(111) Surface Dynamics: Coarsening of 2D Au Islands
J. Phys. Chem. C,
2020
Structure of Chalcogen Overlayers on Au(111): Density Functional Theory and Lattice-Gas Modeling
J. Chem. Phys.,
2020
Kinetics of the Functionalization of Mesoporous Silica Nanoparticles with Organotrialkoxysilanes, Microporous & Mesoporous Materials
Microporous & Mesoporous Materials,
2020
Anomalous Kinetics of Catalytic Conversion Reactions in Linear Nanopores mediated by Inhibited Transport: Multiscale Modeling
Chem. Kinetics beyond the Textbook Ch.7 (World Sci.),
2020
Reshaping, intermixing, and coarsening of metallic nanocrystals: Non-equilibrium statistical mechanical & coarse-grained modeling
Chemical Reviews,
2019
Complex oscillatory decrease with size in diffusivity of (100)-epitaxially supported 3D fcc nanoclusters
Nanoscale,
2019
Kinetics, Energetics, and Size-dependence of the Transformation from Pt to Ordered PtSn Intermetallic Nanoparticles
Nanoscale,
2019
Squeezed Nanocrystals: Equilibrium Configuration of Metal Clusters Embedded Beneath the Surface of a Layered Material
Nanoscale,
2019
Reshaping and sintering of 3D fcc metal nanoclusters: Stochastic atomistic modeling with realistic surface diffusion kinetics
Phys. Rev. Materials,
2019
Sulfur adsorption on coinage metal (100) surfaces: Propensity for metal-sulfur complex formation relative to (111) surfaces
Phys. Chem. Chem. Phys,
2019
Coinage Metal-Sulfur Complexes: Stability on Metal(111) Surfaces and in the Gas Phase
J. Phys. Chem. C,
2019
Surface energies, adhesion energies, and exfoliation energies relevant to Cu-graphene & Cu-graphite systems
Surface Science,
2019
Energetics of Cu adsorption and intercalation at graphite step edges
Phys. Rev. B,
2019
Energy barriers for Pb adatom diffusion on stepped ultrathin Pb(111) quantum nanofilms: first-principles calculations
Phys. Rev. B,
2019
Structure of Polydisperse fcc Nanocrystals: Implications for Crystal Fractionalization
J. Phys. Chem. C,
2019
Fabricating metallic Fe nanocrystals via encapsulation at the graphite surface
J. Vac. Science & Technology A,
2019
Discontinuous phase transitions in non-local Schloegl models for autocatalysis: Loss and reemergence of a non-equilibrium Gibbs phase rule
Phys. Rev. Letters,
2018
Pore diameter dependence of catalytic activity: PNB conversion to an aldol product in amine-functionalized mesoporous silica
J. Chem. Phys.,
2018
Stability of M3S3 complexes on fcc M(111) surfaces: M = Au, Ag, Cu, and Ni
Surface Science,
2018
Modeling of diffusivity for 2D vacancy pits and comparison with 2D adatom islands on metal(100) surfaces including analysis for Ag(100)
J. Phys. Chem. C,
2018
Formation of Multilayer Cu Islands Embedded beneath the Surface of Graphite: Characterization and Fundamental Insights
J. Phys. Chem. C,
2018
Reverse-Engineering of Graphene on Metal Surfaces: A Case Study of Embedded Ruthenium
Nanotechnology,
2018
Tracer counter-permeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics
Phys. Rev. E,
2017
Boundary conditions for diffusion-mediated processes within linear nanopores: Exact treatment of coupling to an equilibrated external fluid
J. Phys. Chem. C,
2017
Nucleation and growth kinetics for intercalated islands during deposition on layered materials with isolated point-like surface defects
Phys. Rev. Materials,
2017
Communication: Diverse nanoscale cluster dynamics: Diffusion of 2D epitaxial clusters
J. Chem. Phys.,
2017
Diffusion of 2D epitaxial clusters on metal(100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes
Phys. Rev. B,
2017
Thickness-dependent energetics for Pb adatoms on low-index Pb nano film surfaces: 1st-principles calculations
Phys. Rev. B,
2017
Tailoring kinetics on a topological insulator surface by defect-induced strain: Pb mobility on Bi2Te3
Nano Letters,
2016
Predictive Beyond-Mean-Field Rate Equations for Multisite Lattice-Gas Models of Catalytic Surface Reactions: CO-Oxidation on Pd(100)
J. Phys. Chem. C,
2016
Catalytic Conversion in Nanoporous Materials: Concentration Oscillations and Spatial Correlations due to Inhibited Transport and Intermolecular Interactions
J. Chem. Phys.,
2016
Catalytic conversion reactions in nanoporous systems with concentration-dependent selectivity: Statistical mechanical modeling
Phys. Rev. E,
2016
Size-dependence of S-bonding on (111) facets of Cu nanoclusters
J. Phys. Chem. C,
2016
Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters
J. Chem. Phys.,
2016
Ab Initio Thermodynamics and Kinetics for Coalescence of Two-Dimensional Nanoislands and Nanopits on Metal (100) Surfaces
J. Phys. Chem. C,
2016
Scaling of capture zone area distributions for nucleation and growth of islands during submonolayer deposition
J. Chem. Phys.,
2016
Point island models for nucleation and growth of supported nanoclusters during surface deposition
J. Chem. Phys.,
2016
Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete 2D deposition-diffusion equation analysis
Phys. Rev. B,
2016
Submonolayer Ag films on Fe(100): First-principles analysis of energetics controlling adlayer thermodynamics and kinetics
Phys. Rev. B,
2016
Adsorption of Dy on the Graphite (0001) Surface: Nucleation & Growth at 300 K
J. Chem. Phys.,
2016
Directing anisotropic assembly of metallic nanoclusters by exploiting linear trio interactions and quantum size effects: Au chains on Ag(100) thin films
J. Phys. Chem. Letters,
2015
Kinetic Monte Carlo simulation of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction-diffusion processes: 1D nanoporous and 2D surface systems
Chemical Reviews,
2015
Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: large-scale first-principles calculations
J. Chem. Phys.,
2015
Growth morphology and properties of metals on graphene
Prog. Surface Science,
2015
Refined BCF-type boundary conditions for mesoscale surface step dynamics
Phys. Rev. B,
2015
Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure
J. Chem. Phys.,
2015
Discontinuous non-equilibrium phase transition in a threshold version of Schloegl’s model for autocatalysis: Generic two-phase coexistence and metastability
J. Chem. Phys.,
2015
Cu2S3 complex on Cu(111) as a candidate for mass transport enhancement
Phys. Rev. B,
2015
Reconstruction of Steps on the Cu(111) Surface Induced by Sulfur
J. Chem. Phys.,
2015
Self-Organization of S Adatoms on Au(111): √3R30◦ Rows at Low Coverage
J. Chem. Phys.,
2015
Langevin and Fokker-Planck analyses of inhibited molecular passing processes controlling transport and reactivity in nanoporous materials
Phys. Rev. Letters,
2014
Real-time ab-initio KMC simulation of the self- assembly and sintering of bimetallic nanoclusters on fcc(100) surfaces: Au+Ag on Ag(100)
Nano Letters,
2014
Dissociative adsorption of O2 on unreconstructed metal(100) surfaces: Pathways, energetics, and sticking kinetics
Phys. Rev. B,
2014
Statistical mechanical models for dissociative adsorption of O2 on metal(100) surfaces with blocking, steering, and funneling
J. Chem. Phys.,
2014
A search for the structure of sulfur-induced reconstruction on Cu(111)
J. Phys. Chem. C,
2014
Transition and Noble Metals on the (0001) Surface of Graphite: Fundamental Aspects of Adsorption
Prog. Surface Science,
2014
Copper nanoclusters on the basal plane of graphite: Experimental and theoretical elucidation of the formation mechanism
Phys. Rev. B,
2014
Temperature dependence of Ag film roughening during deposition on quasicrystal and approximant surfaces
Acta Phys. Polonica A,
2014
Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal(100) surfaces
Prog. Surface Science,
2013
Anisotropic coarsening: One-dimensional decay of Ag islands on Ag(110)
Phys. Rev. B,
2013
Analytic formulations for one-dimensional decay of rectangular homoepitaxial islands during coarsening on anisotropic fcc(110) surfaces
Phys. Rev. B,
2013
Atomistic modeling of the directed assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene
J. Chem. Phys.,
2013
Structure, Formation, and Equilibration of Ensembles of Ag-S Complexes on an Ag Surface
J. Chem. Phys.,
2013
Controlling reactivity in nanoporous catalysts by tuning reaction product – pore interior interactions: statistical mechanical modeling
J. Chem. Phys.,
2013
Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reactions in nanoporous materials
Phys. Rev. Letters,
2012
Formation of a new type of Ni3Al surface structure by codeposition on NiAl(110)
Phys. Rev. Letters,
2012
Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling
Phys. Rev. B,
2012
Tricriticality in generalized Schloegl models for autocatalysis: Lattice-gas realization with particle diffusion
Physica A,
2012
Schloegl’s second model for autocatalysis on hypercubic lattices: Dimension-dependence of generic two-phase coexistence
Phys. Rev. E,
2012
Self-assembly of metal nanostructures on binary alloy substrates
Proc. Nat. Acad. Sciences,
2011
Temperature-dependent growth shapes of Ni nanoclusters on NiAl(110)
J. Chem. Phys.,
2011
Far-from-equilibrium growth on alloy surfaces: Ni and Al on NiAl(110)
Phys. Rev. B,
2011
Catalytic Conversion reactions mediated by single-file diffusion in linear nanopores: Hydrodynamic versus stochastic behavior
J. Chem. Phys.,
2011
Interplay between anomalous transport and catalytic reaction kinetics in single-file mesoporous systems
ACS Catalysis,
2011
Schloegl’s second model for autocatalysis on a cubic lattice: Analysis via mean-field discrete reaction-diffusion equations
J. Stat. Phys.,
2011
Boundary conditions for Burton-Cabrera-Frank type step flow models from coarse-graining of discrete 2D deposition-diffusion equations
SIAM Multiscale Modeling & Simulation,
2011
Adsorption and diffusion of Gallium Adatoms on the Si(100) -2x1 reconstructed surface: An MCSCF study utilizing surface clusters
J. Phys. Chem. C,
2011
Nucleation and growth of Ag islands on the (Sqrt3xSqrt3)R30 phase of Ag on Si(111)
J. Phys. Cond. Matt.,
2011
A distinctive feature of the surface structure of quasicrystals: Intrinsic and extrinsic heterogeneity
Israel J. Chem.,
2011
How sulfur controls the nucleation of Ag islands on Ag(111)
Topics in Catalysis,
2011
A little chemistry helps the big get bigger
Science,
2010
Comment on Capture Zone Scaling in Island Nucleation: Universal fluctuation behavior
Phys. Rev. Letters,
2010
Adsorbate-enhanced mass-transport on metal surfaces: oxygen and sulfur on coinage metals
J. Vac. Sci. Technol. A,
2010
Rapid Decay of vacancy islands at step edges on Ag(111): Step orientation dependence
J. Phys. Cond. Matt.,
2010
Polymer length distributions for catalytic polymerization in mesoporous materials: Non-Markovian behavior associated with partial extrusion
J. Chem. Phys.,
2010
Interactions between oxygen on Pt(100): Implications for ordering during chemisorption and catalysis
Chem. Phys. Phys. Chem.,
2010
Metastability in a Schloegl’s second model for autocatalysis: Lattice-gas realization with particle diffusion
Phys. Rev. E,
2010
Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modeling
Phys. Rev. B,
2010
Quantum islands on metal substrates: Microscopy studies and electronic structure theory
Materials,
2010
From initial to late stages of epitaxial thin film growth: STM analysis and atomistic or coarse-grained modeling
AIP Conf. Proc.,
2010
Ag thin films on the twofold surface of decagonal Al-Cu-Co quasicrystal
Phys. Rev. B,
2010
A stochastic coarsening model for Pb islands on the Si(111) surface
Phys. Rev. B,
2010
Diffusion of atomic oxygen on the Si(100) surface
J. Phys. Chem. C,
2010
Growth of Height-Selected Ag Islands on 5-fold i-AlPdMn Quasicrystalline Surfaces: STM Analysis & Step Dynamics Modeling
Phys. Rev. Letters,
2009
Coarsening of two-dimensional nanoclusters on metal surfaces
J. Phys. Chem. C,
2009
Accelerated coarsening of Ag adatom islands on Ag(111) due to trace amounts of S: Mass transport mediated by Ag-S complexes
J. Chem. Phys.,
2009
The effect of chalcogens (O,S) on coarsening of nanoislands on metal surfaces
Surface Science,
2009
Atomistic and multiscale modeling of CO-oxidation on Pd(100) and Rh(100): From nanoscale fluctuations to mesoscale reaction fronts
Surface Science,
2009
Statistical mechanical modeling of catalytic polymerization within surface functionalized mesoporous materials
Phys. Rev. E,
2009
Schloegl’s Second Model for Autocatalysis with Particle Diffusion: Lattice-Gas Realization exhibiting Generic Two-Phase Coexistence
J. Chem. Phys.,
2009
Kinetic Monte Carlo simulation atomistic models for oxide island formation and step pinning during etching by oxygen of vicinal Si(100)
Thin Solid Films,
2009
Kinetic Monte Carlo study on the role of defects and detachment of formation and growth of In chains on Si(100)
J. Phys. Cond. Mat.,
2009
Binding and diffusion of Al adatoms and dimers on the Si(100)-2x1 surface: A hybrid QM/MM embedded cluster study
J. Phys. Chem. C,
2009
Formation of complex wedding-cake-like morphologies during homoepitaxial growth of Ag on Ag(111): Atomistic, step-dynamics, and continuum modeling
J. Phys. Cond. Matter,
2009
Competition between area and height evolution of Pb islands on a Si(111) surface
Phys. Rev. B,
2009
Stranski-Krastanov-like Growth of an Ag Film on a Metallic Glass
Thin Solid Films,
2009
Kinetics of Facile Bilayer Island Formation for Ag on NiAl(110)
Phys. Rev. Letters,
2008
Exploration of Complex Multilayer Film Growth Morphologies: STM Analysis and Predictive Atomistic Modeling for Ag on Ag(111)
Phys. Rev. B,
2008
Quantum Stabilities and Growth Modes of Thin Metal Films: Unsupported and NiAl-supported Ag Films
Surface Science,
2008
Generic Two-phase Coexistence, Relaxation Kinetics, and Interface Propagation in the Quadratic Contact Process: Analytic Studies
Physica A,
2008
Quadratic Contact Process: Phase Separation with Interface-Orientation-Dependent Equistability
Phys. Rev. Letters,
2007
Generic Two-phase Coexistence, Relaxation Kinetics, and Interface Propagation in the Quadratic Contact Process: Simulation Studies
Phys. Rev. E,
2007
Fluctuations and patterns in nanoscale surface reaction systems: Influence of reactant phase separation during CO oxidation
Phys. Rev. B,
2007
Fronts and fluctuations in a tailored model for CO oxidation on metal(100) surfaces
J. Phys. Cond. Matter,
2007
Ripening of monolayer vacancy pits on metal surfaces: Pathways, energetics, and size-scaling for Ag(111) versus Ag(100)
Phys. Rev. B,
2007
Strongly Driven Coarsening of Height-Selected Pb Islands on Si(111)
Surf. Sci. Letters,
2007
Scanning Tunneling Microscopy and Density Functional Theory Study of Initial Bilayer Growth of Ag Films on NiAl(110)
Phys. Rev. B,
2007
Nucleation of Ag thin films on five-fold surfaces of i-Al-Pd-Mn quasicrystals
Phys. Rev. B,
2007
Terrace-dependent Nucleation of Small Ag Clusters on a Five-fold Icosahedral Quasicrystal Surface
Phil. Mag.,
2007
Atomistic lattice-gas modeling of CO-oxidation on Pd(100): Temperature-programmed spectroscopy and steady-state behavior
J. Chem. Phys.,
2006
Chemical diffusion in mixed CO+O adlayers and reaction front propagation in CO-oxidation on Pd(100)
J. Chem. Phys.,
2006
Mound Slope and Shape Selection during Unstable Multilayer Growth: Analysis of Step Dynamics Model including Downward Funneling
Phys. Rev. B,
2006
Reply to Comment on “Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)
Phys. Rev. B,
2006
Island formation during Al deposition on 5-fold Al-Cu-Fe quasicrystalline surfaces: Kinetic Monte Carlo simulation of a disordered-bond-network lattice-gas model
Surface Science,
2006
Modeling of the energetics and kinetics of Al-deposition on 5-fold Al-rich quasicrystal surfaces
Phil. Mag.,
2006
Theoretical analysis of mound slope selection during unstable multilayer growth
Phys. Rev. Letters,
2005
Modeling of Island Formation during Submonolayer Deposition: A Stochastic Geometry-Based Simulation (GBS) Approach
SIAM Multiscale Modeling & Simulation,
2005
Temperature-dependence of island growth shapes in submonolayer deposition of Ag on Ag(111)
Phys. Rev. B,
2005
Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)
Phys. Rev. B,
2005
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