CHEMICAL AND BIOLOGICAL SCIENCES
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James W. Evans Senior Scientist 315 Wilhelm Hall |
PERSONAL HISTORY
For complete CV click here
RESEARCH INTERESTS AND PROJECTS
INTERESTS:
SELECTED PROJECTS:
CURRENT FUNDING
RESEARCH GROUP
Current Members:
Previous Postdocs:
Previous PhD Students:
RECENT PUBLICATIONS for 2000 - present (for COMPLETE list of publications, click here)
Total publications: > 230
Total citations (isiknowledge.com): > 5360. h-index: h=37
Chemisorption and Catalytic CO-Oxidation (DOE Chem Physics + PCTC)
D.-J. Liu and J.W. Evans, “Atomistic and multiscale modeling of CO-oxidation on Pd(100) and Rh(100): From nanoscale fluctuations to mesoscale reaction fronts”, Surf. Sci., 603, 1706-1716 (2009). Invited for Issue in honor of Gerhardt Ertl 2007 Nobel Laureate in Chemistry.
Da-Jiang Liu and J.W. Evans, Fluctuations and patterns in nanoscale surface reaction systems: Influence of reactant phase separation during CO oxidation”, Phys. Rev. B 75, 073401 (2007), 4pp.
Da-Jiang Liu and J.W. Evans, Fronts and fluctuations in a tailored model for CO oxidation on metal(100) surfaces”, J. Phys.: Cond. Matt. 19, 065129 (2007), 14pp.
Da-Jiang Liu and J.W.Evans, “Atomistic lattice-gas modeling of CO-oxidation on Pd(100): Temperature-programmed spectroscopy and steady-state behavior”, J. Chem. Phys., 124, 154705 (2006), 13pp.
Da-Jiang Liu and J.W.Evans, “Chemical diffusion in mixed CO+O adlayers and reaction front propagation in CO-oxidation on Pd(100)”, J. Chem. Phys., 125, 054709 (2006), 8pp.
Da-Jiang Liu and J.W. Evans, “Lattice-Gas modeling of the formation and ordering of oxygen adlayers on Pd(100)”, Surface Science 563, 13-26 (2004).
Da-Jiang Liu and J.W. Evans, “From Atomic Scale Reactant Ordering to Mesoscale Reaction Front Propagation: CO Oxidation on Pd(100)”, Phys. Rev. B 70, 193408 (2004), 4pp.Self-organization and Reaction on Non-conducting Surfaces (DOE Chem Physics)
D. Zorn, M. Albao, J.W. Evans, and M.S. Gordon, “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 113, 7277-7289 (2009).
M. Albao, J.W. Evans, and F.-C. Chuang, “Kinetic Monte Carlo study on the role of defects and detachment of formation and growth of In chains on Si(100)”, J. Phys.: Cond. Matter, 21, 405002 (2009).
M. Albao, F.-C. Chuang, and J.W. Evans, “Kinetic Monte Carlo simulation atomistic models for oxide island formation and step pinning during etching by oxygen of vicinal Si(100)”, Thin Solid Films, 517, 1949-1957 (2009).
M.A. Albao, M.M.R. Evans, J. Nogami, D. Zorn, M.S. Gordon, and J.W. Evans, “Reply to Comment on “Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)” , Phys. Rev. B, 74, 037402 (2006), 3pp.
M.A. Albao, M.M.R. Evans, J. Nogami, D. Zorn, M.S. Gordon, and J.W. Evans, “Monotonically decreasing size distributions for one-dimensional Ga rows on Si(100)”, Phys. Rev. B 72, 035426 (2005), 8pp. Also listed in Virtual Journal of Nanoscale Science and Technology, 2005.
M.A. Albao, D.-J. Liu, M.S. Gordon, and J.W. Evans, “Simultaneous etching and oxidation of vicinal Si(100) surfaces: Atomistic lattice-gas modeling of morphological evolution”, Phys. Rev. B 72, 195420 (2005), 12pp.
M.A. Albao, Da-Jiang Liu, C.H. Choi, M.S. Gordon, and J.W. Evans, “Atomistic Modeling of Morphological Evolution during Simultaneous Etching and Oxidation of Si(100)”, Surface Science, 555, 51-67 (2004).
C.H. Choi, D.-J. Liu, J.W. Evans, and M.S. Gordon, “Passive and Active Oxidation of Si(100) by Atomic Oxygen: Theoretical Study of Possible Reaction Mechanisms”, J. Am. Chem. Soc. 124, 8730-8740 (2002).Structure, Transport, Reaction in Mesoporous Oxides (DOE Chem Physics, PCTC)
D.-J. Liu, H.-T. Chen, Victor S.-Y. Lin, and J.W. Evans, “Statistical mechanical modeling of catalytic polymerization within surface functionalized mesoporous materials, Phys. Rev. E 80, 011801 (2009), 9pp.
D.-J. Liu, H.-T. Chen, Victor S.-Y. Lin, and J.W. Evans, “Polymer length distributions for catalytic polymerization in mesoporous materials: Non-Markovian behavior induced by partial extrusion”, to be submitted (2009).Fundamental Statistical Mechanical Analysis of Reaction-Diffusion Models…DOE Science Grand Challenge for Non-equilibrium Systems (DOE Chem Physics)
Xiaofang Guo, D.-J. Liu, and J.W. Evans, “Schloegl’s Second Model for Autocatalysis with Particle Diffusion: Lattice-Gas Realization exhibiting Generic Two-Phase Coexistence”, J. Chem. Phys. 130, 074106 (2009), 15pp.
X. Guo, D. Unruh, D.-J. Liu, and J.W. Evans, “Tricriticality in a generalized Schloegl model for autocatalysis: Lattice-gas realization with particle diffusion”, to be submitted to Physica A (2009)
Xiaofang Guo, J.W. Evans, and D-J. Liu, “Generic Two-phase Coexistence, Relaxation Kinetics, and Interface Propagation in the Quadratic Contact Process: Analytic Studies”, Physica A 387, 177-201 (2008).
Xiaofang Guo, D-J. Liu, and J.W. Evans, “Generic Two-phase Coexistence, Relaxation Kinetics, and Interface Propagation in the Quadratic Contact Process: Simulation Studies”, Phys. Rev. E 75, 061129 (2007), 13 pp.
Da-Jiang Liu, Xiaofang Guo, and J.W. Evans, “Quadratic Contact Process: Phase Separation with Interface-Orientation-Dependent Equistability”, Physical Review Letters 98, 050601 (2007), 4pp.Xiaofang Guo, Y. De Decker, and J.W. Evans, "Metastability in Schloegl's Second Model for Autocatalysis: Lattice-gas Realization with Particle Diffusion", submitted to Phys. Rev. E.
General Modeling of Surface Reactions (DOE Chem Physics)
Da-Jiang Liu and J.W. Evans, "From Atomic Scale Ordering to Mesoscale Spatial Patterns in Surface Reactions: A Heterogeneous Coupled Lattice-Gas (HCLG) Simulation Approach", SIAM Multiscale Modeling & Simulation 4, 424-446 (2005).
Da-Jiang Liu, N. Pavlenko, and J.W. Evans, “Crossover between Mean-Field and Ising Critical Behavior in a Lattice-Gas Reaction-Diffusion Model”, J. Stat. Phys., 114, 101-114 (2004).
N. Pavlenko, R. Imbihl, J.W. Evans, and Da-Jiang Liu, “Critical Behavior in an Atomistic Surface Reaction Model exhibiting Bistability: CO-Oxidation with Rapid CO-diffusion”, Phys. Rev. E 68, 016212 (2003), 8pp.
N. Pavlenko, J.W. Evans, D.-J. Liu, and R. Imbihl, “Catalytic CO Oxidation on Nanoscale Pt Facets: Effect of Inter-facet CO Diffusion on Bifurcation and Fluctuation Behavior”, Phys. Rev. E 65, 016121 (2002), 8 pp.
J.W. Evans, D.-J. Liu, M. Tammaro, “From Atomistic Lattice-Gas Models for Surface Reactions to Hydrodynamic Reaction-Diffusion Equations”, Chaos 12,131-143 (2002). (Invited Contribution for Focus Issue: Nonlinear Pattern Formation in Surface Science, edited by A.S. Mikhailov and G. Ertl)
D.-J. Liu and J.W. Evans, “Fluctuations and Bistability in a Hybrid Atomistic Model for CO Oxidation on Nanofacets: An Effective Potential Analysis”, J. Chem. Phys. 117, 7319-7328 (2002).
D.-J. Liu and J.W. Evans, “Phase Transitions in Mixed Adsorbed Layers: Effect of Repulsions between “Hard-Squares” and “Point-Particles”, J. Chem. Phys., 114, 10977-10978 (2001).
Yu. Suchorski, J. Beben, R. Imbihl, E.W. James, Da-Jiang Liu, and J.W. Evans, “Fluctuations and Critical Phenomena in Catalytic CO-Oxidation on Nanoscale Pt Facets”, Phys. Rev. B 63, 165417 (2001), 12pp.
E.W. James, Da-Jiang Liu, and J.W. Evans, “Relaxation Effects in Random Sequential Adsorption: Application to Chemisorption Systems”, J. Colloids and Surfaces A, 165, 241-254 (2000). (Special Issue: “Adhesion of Submicron Particles on Solid Surfaces”, edited by V. Privman.)
Da-Jiang Liu and J.W. Evans, “Ordering and Percolation Transitions for Hard-Squares: Equilibrium versus Non-equilibrium Models for Adsorbed Layers with c(2x2) Superlattice Ordering”, Phys. Rev. B 62, 2134-2145 (2000).
Da-Jiang Liu and J.W. Evans, “Surface Diffusion in Mixed Adlayers with Superlattice Ordering: Percolative Transport around Obstacles and along Domain Boundaries”, J. Chem. Phys. 113, 10252-10264 (2000).
Da-Jiang Liu, J.W. Evans, Symmetry-Breaking and Percolation Transitions in a Surface Reaction Model with Superlattice Ordering, Physical Review Letters, 84, 955-958 (2000).Coarsening and Relaxation of Surface Nanostructures (NSF)
P.A. Thiel, M. Shen, D.-J. Liu and J.W. Evans, “Coarsening of two-dimensional nanoclusters on metal surfaces”, J. Phys. Chem. C, 113, 5047-5067 (2009). Invited Centennial Feature Article
M. Shen, D.-J. Liu, C.J. Jenks, J.W. Evans, and P.A. Thiel, “The effect of chemical adsorbates on coarsening of nanoislands on metal surfaces” Surf. Sci., 603, 1486-1791 (2009). Invited for Ertl Nobel Issue
M. Shen, D.-J. Liu, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Accelerated coarsening of Ag adatoms islands on Ag(111) due to trace amounts of S: Mass transport mediated by Ag-S complexes”, J. Chem. Phys. 130, 094701 (2009), 13pp.
*M. Li, C.Z. Wang, J.W. Evans, M. Hupalo, M. Tringides, and K.-M. Ho, “Competition between area and height evolution of Pb islands on a Si(111) surface”, Phys. Rev. B 79, 113404 (2009), 4pp.
* M. Li, J.W. Evans, C.Z. Wang, M. Hupalo, M.C. Tringides, T.-L. Chan, and K.M. Ho, “Strongly Driven Coarsening of Height-Selected Pb Islands on Si(111), Surf. Sci. Lett., 601, L140-144 (2007).
M. Shen, J.M. Wen, C.J. Jenks, P.A. Thiel, D.-J. Liu, and J.W. Evans, “Ripening of monolayer vacancy pits on metal surfaces: Pathways, energetics, and size-scaling for Ag(111) versus Ag(100)”, Phys. Rev. B, 75 (2007) 245409, 10pp.
A.R. Layson, J.W. Evans, and P.A. Thiel, “Use of Adsorbates to Manipulate Nanostructure Formation: O+Ag/Ag(100)”, J. Chem. Phys. 118, 6467-6472 (2003).
D.-J. Liu and J.W. Evans, “Sintering of 2D Nanoclusters in Metal(100) Homoepitaxial Systems: Deviations from Predictions of Mullins Continuum Theory”, Phys. Rev. B. 66, 165407 (2002), 12pp.
A.R. Layson, J.W. Evans, and P.A. Thiel, “Additive-Enhanced Coarsening and Smoothening of Metal Films: Complex Mass-Flow Dynamics underlying Nanostructure Evolution”, Phys. Rev. B 65, 193409 (2002), 4 pp.
W.W. Pai, J.F. Wendelken, C.R. Stoldt, P.A. Thiel, J.W. Evans, and Da-Jiang Liu, “Evolution of Two-Dimensional Worm-Like Nanoclusters on Metal Surfaces”, Physical Review Letters 86, 3088-3091 (2001).
A.M. Cadilhe, C.R. Stoldt, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Evolution of Far-From-Equilibrium Nanostructures on Ag(100) Surfaces: Protrusions and Indentations at Extended Step Edges”, Phys. Rev. B 61, 4910-4925 (2000).
P.A. Thiel and J.W. Evans, “Nucleation, Growth, and Relaxation of Thin Films in Metal(100) Homoepitaxy”, J. Phys. Chem. B 104, 1663-1676 (2000) - Feature Article.
*Partly supported by DOE CMSN projectFilm Growth on Alloy Substrates: Quantum Size Effects, Strain, etc. (NSF)
Baris Unal, V. Fournee, P.A. Thiel, and J.W. Evans, “Growth of Height-Selected Ag Islands on 5-fold i-AlPdMn Quasicrystalline Surfaces: STM Analysis & Step Dynamics Modeling”, Physical Review Letters, 102, 196103 (2009), 4pp.
D. Jing, B. Unal, F. Qin, J.W. Evans, C.J. Jenks, D.J. Sordelet, and P.A. Thiel, “Stranski-Krastanov-like Growth of an Ag Film on a Metallic Glass”, Thin Solid Films, in press (2009).
Y. Han, D.-J. Liu, B. Unal, F. Qin, D. Jing, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Formation and coarsening of Ag(110) bilayer islands on NiAl(110): STM analysis and atomistic lattice-gas modeling”, submitted to Phys. Rev. B (2009)
Y. Han, B. Unal, D. Jing, P.A. Thiel, and J.W. Evans, “Far-from-equilibrium growth on alloys surfaces: Ni and Al on NiAl(110)” to be submitted to Phys Rev Lett (2009)
Y. Han, D.-J. Liu, B. Unal, F. Qin, D. Jing, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Kinetics of Facile Bilayer Island Formation for Ag on NiAl(110)”, Physical Review Letters, 100, 116105 (2008).
Y. Han, J.W. Evans, and D.-J. Liu, “Quantum Stabilities and Growth Modes of Thin Metal Films: Unsupported and NiAl-supported Ag Films”, Surface Science, 602, 2532-2540 (2008).
B. Unal, F. Qin, Y. Han, D.-J. Liu, D. Jing, A.R. Layson, C.J. Jenks, J.W. Evans, and P.A. Thiel, “Scanning Tunneling Microscopy and Density Functional Theory Study of Initial Bilayer Growth of Ag Films on NiAl(110)”, Phys. Rev. B, 76, 195410 (2007), 11pp.
B. Unal, J.W. Evans, T.A. Lograsso, A.R. Ross, C.J. Jenks, and P.A. Thiel, “Terrace-dependent Nucleation of Small Ag Clusters on a Five-fold Icosahedral Quasicrystal Surface”, Phil. Mag., 87, 2995-3001 (2007).
B. Unal, A.R. Ross, T.A. Lograsso, K.J. Schnitzenbaumer, C. Ghosh, C.J. Jenks, J.W. Evans, and P.A. Thiel, “Nucleation of Ag thin films on five-fold surfaces of i-Al-Pd-Mn quasicrystals”, Phys. Rev. B, 75, 064205 (2007), 9pp.
C. Ghosh, D.-J. Liu, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Modeling of the energetics and kinetics of Al-deposition on 5-fold Al-rich quasicrystal surfaces”, Phil. Mag., 86, 831-840 (2006).
C. Ghosh, D.-J. Liu, K.J. Schnitzenbaumer, C.J. Jenks, P.A. Thiel, and J.W. Evans, “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”, Surf. Sci., 600, 2220-2230 (2006).
J. Ledieu, R. McGrath, N.V. Richardson, Q. Chen, V. Fournee, T. Lograsso, A. Ross, K.J. Caspersen, U. Baris, J.W. Evans, and P.A. Thiel, “Step Structure on the Five-Fold Al-Pd-Mn Quasicrystalline Surface and on Related Surfaces”, Surf. Sci.. 583, 4-15 (2005).
V. Fournee, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, “Growth of Ag Thin Films on Complex Surfaces of Quasicrystals and Approximant Phases”, Surface Science 537, 5-26 (2003).
V. Fournee, T.C. Cai, A.R. Ross, T.A. Lograsso, J.W. Evans, and P.A. Thiel, “Nucleation and Growth of Ag Films on a Quasicrystalline AlPdMn Surface”, Phys. Rev. B 67, 033406 (2003), 4pp.Homoepitaxial Growth of Metal Films (NSF)
M. Li, Y. Han, P.A. Thiel, and J.W. Evans, “Formation of complex wedding-cake-like morphologies during homoepitaxial growth of Ag on Ag(111): Atomistic, step-dynamics, and continuum modeling”, J. Phys. Cond. Matt. 21, 084216 (2009).
Maozhi Li, P.-W. Chung, E. Cox, C.J. Jenks, P.A. Thiel, and J.W. Evans, “Exploration of Complex Multilayer Film Growth Morphologies: STM Analysis and Predictive Atomistic Modeling for Ag on Ag(111), Phys. Rev. B, 77, 033402 (2008), 4pp.
Maozhi Li and J.W. Evans, “Mound Slope and Shape Selection during Unstable Multilayer Growth: Analysis of Step Dynamics Model including Downward Funneling”, Phys. Rev. B, 73, 125434 (2006), 13pp.
Maozhi Li and J.W. Evans, “Theoretical analysis of mound slope selection during unstable multilayer growth”, Physical Review Letters 95, 256101 (2005), 4pp; 96, 079902(E) (2006), 1pp.
Maozhi Li and J.W. Evans, “Modeling of Island Formation during Submonolayer Deposition: A Stochastic Geometry-Based Simulation (GBS) Approach”, SIAM Multiscale Modeling & Simulation 3, 629-657 (2005).
E. Cox, Maozhi Li, P.-W. Chung, C. Ghosh, T.S. Rahman, C.J. Jenks, J.W. Evans, and P.A. Thiel, “Temperature-dependence of island growth shapes in submonolayer deposition of Ag on Ag(111)”, Phys. Rev. B 71, 115414 (2005), 9pp.
P.A. Thiel and J.W. Evans, “Energetic Parameters for Atomic Scale Processes on Ag(100)”, J. Phys. Chem. B 108, 14428-14433 (2004) (Invited for Special Issue commemorating Gerhardt Ertl).
Maozhi Li and J.W. Evans, “Growth Coalescence Shapes for Islands during Metal(100) Homoepitaxy”, Phys. Rev. B 69, 035410 (2004), 14pp.
Maozhi Li, M.C. Bartelt, and J.W. Evans, “Geometry-based Simulation of Submonolayer Film Growth”, Phys. Rev. B 68, 121401(R) (2003), 4pp.
Maozhi Li and J.W. Evans, “Geometry-based Simulation (GBS) Algorithms for Island Nucleation and Growth during Submonolayer Deposition”, Surface Science, 546, 127-148 (2003).
S. Frank, H. Wedler, R.J. Behm, J. Rottler, P. Maass, K.J. Caspersen, C.R. Stoldt, P.A. Thiel, and J.W. Evans, “Approaching the Low Temperature Limit in Nucleation and Growth of fcc(100) Metal Films - Ag/Ag(100), Phys. Rev. B 66, 155435 (2002), 7pp.
J.W. Evans and M.C. Bartelt, “Island Sizes and Capture Zone Areas in Submonolayer Deposition: Analysis via Scaling and Factorization of the Joint Probability Distribution”, Phys. Rev. B 66, 235410 (2002), 12pp.
K.J. Caspersen, A.R. Layson, C.R. Stoldt, V. Fournee, P.A. Thiel, and J.W. Evans, “Development and Ordering of Mounds during Metal(100) Homoepitaxy”, Phys. Rev. B 65, 193407 (2002), 4pp.
K.J. Caspersen, C.R. Stoldt, A.R. Layson, M.C. Bartelt, P.A. Thiel, and J.W. Evans, “Morphology of Multilayer Ag/Ag(100) Films versus Deposition Temperature: STM Analysis and Atomistic Lattice-Gas Modeling, Phys. Rev. B, 63, 085401 (2001), 15pp.
J.W. Evans and M.C. Bartelt, “Nucleation, Adatom Capture, and Island Size Distributions: Unified Scaling Analysis for Submonolayer Deposition”, Phys. Rev. B, 63, 235408 (2001), 15 pp.
K.J. Caspersen and J.W. Evans, “Homoepitaxial GrowtH of Metal Films at Very Low Temperatures: Lattice-Gas Models with Restricted Downward Funneling”, Phys. Rev. B, 64, 075401 (2001), 11pp.
M.C. Bartelt, J.B. Hannon, A.K. Schmid, C.R. Stoldt, and J.W. Evans, “Island Formation during Deposition and Etching”, J. Colloids and Surfaces A, 165, 373-403 (2000).
C.R. Stoldt, K.J. Caspersen, M.C. Bartelt, C.J. Jenks, J.W. Evans, and P.A. Thiel, “Using Temperature to Tune Film Roughness: Non-Intuitive Behavior in a Simple System”, Physical Review Letters, 85, 800-803 (2000).Reviews
J. W. Evans, P. A. Thiel and M. C. Bartelt, “Morphological Evolution during Epitaxial Thin Film Growth: Formation of 2D Islands and 3D Mounds,” Surface Science Reports, 61, 1-128 (2006).
J. W. Evans, “Random and Cooperative Sequential Adsorption”, Reviews of Modern Physics, 65, 1281-1329 (1993).