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Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: A MD study using machine learning potentials

The Journal of chemical physics, 2023-07, Vol.159 (2)

2023

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Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing machine learning derived potentials

The Journal of chemical physics, 2022-05, Vol.156 (20), p.204106-204106

2022

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Spatial arrangement of dynamic surface species from solid-state NMR and machine learning-accelerated MD simulations

Chemical communications (Cambridge, England), 2022-12, Vol.58 (1), p.13939-13942

2022

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Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture

The Journal of chemical physics, 2023-03, Vol.158 (10), p.104102-104102

2023

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Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

The Journal of chemical physics, 2015-07, Vol.143 (1), p.014704-014704

2015

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Communication: Diverse nanoscale cluster dynamics: Diffusion of 2D epitaxial clusters

The Journal of chemical physics, 2017-11, Vol.147 (20), p.201101-201101

2017

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Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

Chemphyschem, 2021-02, Vol.22 (4), p.349-358

2021

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Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

The Journal of chemical physics, 2020-06, Vol.152 (22), p.224706-224706

2020

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Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

The Journal of chemical physics, 2015-04, Vol.142 (13), p.134703-134703

2015

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Quantum size effects in metal nanofilms: Comparison of an electron-gas model and density functional theory calculations

Physical review. B, Condensed matter and materials physics, 2009-10, Vol.80 (15), Article 155404

2009

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Discontinuous Phase Transitions in Nonlocal Schloegl Models for Autocatalysis: Loss and Reemergence of a Nonequilibrium Gibbs Phase Rule

Physical review letters, 2018-09, Vol.121 (12), p.120603-120603, Article 120603

2018

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Predictive Beyond-Mean-Field Rate Equations for Multisite Lattice–Gas Models of Catalytic Surface Reactions: CO Oxidation on Pd(100)

Journal of physical chemistry. C, 2016-12, Vol.120 (50), p.28639-28653

2016

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Density functional analysis of key energetics in metal homoepitaxy: Quantum size effects in periodic slab calculations

Physical review. B, Condensed matter and materials physics, 2010-01, Vol.81 (3), Article 035415

Liu, Da-Jiang

2010

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Identification of an AgS2 Complex on Ag(110)

Scientific reports, 2019-12, Vol.9 (1), p.1-11, Article 19842

2019

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Sulfur adsorption on coinage metal(100) surfaces: propensity for metal-sulfur complex formation relative to (111) surfaces

Physical chemistry chemical physics : PCCP, 2019-12, Vol.21 (48), p.26483-26491

2019

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Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (100) surfaces

Progress in surface science, 2013-12, Vol.88 (4), p.393-521

2013

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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, 2015-06, Vol.115 (12), p.5979-6050

2015

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Identification of Au-S complexes on Au(100)

Physical chemistry chemical physics : PCCP, 2016-02, Vol.18 (6), p.4891-4901

2016

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Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100)

Nano letters, 2014-08, Vol.14 (8), p.4646-4652

2014

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Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

Chemphyschem, 2021-02, Vol.22 (4), p.343-343

2021

Volltextzugriff (PDF)

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

The Journal of chemical physics, 2015-04, Vol.142 (16), p.164105-164105

2015

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Statistical mechanical models for dissociative adsorption of O₂ on metal(100) surfaces with blocking, steering, and funneling

The Journal of chemical physics, 2014-05, Vol.140 (19), p.194704-194704

2014

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Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

The journal of physical chemistry. B, 2018-01, Vol.122 (2), p.963-971

2018

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Reconstruction of steps on the Cu(111) surface induced by sulfur

The Journal of chemical physics, 2015-05, Vol.142 (19), p.194711-194711

2015

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Transition metals on the (0001) surface of graphite: Fundamental aspects of adsorption, diffusion, and morphology

Progress in surface science, 2014-08, Vol.89 (3-4), p.219-238

2014

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Fluorine spillover for ceria- vs silica-supported palladium nanoparticles: A MD study using machine learning potentials

Reaction processes at step edges on S-decorated Cu(111) and Ag(111) surfaces: MD analysis utilizing machine learning derived potentials

Spatial arrangement of dynamic surface species from solid-state NMR and machine learning-accelerated MD simulations

Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture

Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

Communication: Diverse nanoscale cluster dynamics: Diffusion of 2D epitaxial clusters

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

Quantum size effects in metal nanofilms: Comparison of an electron-gas model and density functional theory calculations

Discontinuous Phase Transitions in Nonlocal Schloegl Models for Autocatalysis: Loss and Reemergence of a Nonequilibrium Gibbs Phase Rule

Predictive Beyond-Mean-Field Rate Equations for Multisite Lattice–Gas Models of Catalytic Surface Reactions: CO Oxidation on Pd(100)

Density functional analysis of key energetics in metal homoepitaxy: Quantum size effects in periodic slab calculations

Identification of an AgS2 Complex on Ag(110)

Sulfur adsorption on coinage metal(100) surfaces: propensity for metal-sulfur complex formation relative to (111) surfaces

Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (100) surfaces

Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction–Diffusion Processes: 1D Nanoporous and 2D Surface Systems

Identification of Au-S complexes on Au(100)

Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100)

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

Statistical mechanical models for dissociative adsorption of O₂ on metal(100) surfaces with blocking, steering, and funneling

Sulfur Atoms Adsorbed on Cu(100) at Low Coverage: Characterization and Stability against Complexation

Reconstruction of steps on the Cu(111) surface induced by sulfur

Transition metals on the (0001) surface of graphite: Fundamental aspects of adsorption, diffusion, and morphology

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