Dajiang Liu

Da-Jiang Liu Zheren Shen James W. Evans

Trends in spatial correlations, two-phase coexistence, and criticality in a class of type-2 Schloegl models for autocatalysis

Physical Review E, 2025

Da-Jiang Liu James W. Evans

Nanoscale structure of ordered mesoporous carbon formed by nanocasting within a hard template: MD simulation with ML potentials

Microporous and Mesoporous Materials, 2025

Da-Jiang Liu Jie Zhang Long Qi James W. Evans

Molecular simulation using transfer-learned potentials for the disordered nanoscale structure of nitrogen-doped nanoporous carbons

Carbon, 2025

Yong Han Da-Jiang Liu King C. Lai Patricia A. Thiel James W. Evans

Formation and coarsening of epitaxially-supported metal nanoclusters

Surface Science, 2025

Charles J. Ward Minda Chen Andrew Lamkins Claudia Ordonez Rong Sun Puranjan Chatterjee Minghui Niu Ruoyu Cui Da-Jiang Liu Wenyu Huang

Achieving Product Control in Furfural Hydrogenation Using Intermetallic Catalysts

ACS Catalysis, 2024

King C. Lai Da-Jiang Liu Wenyu Huang Yong Han James W. Evans

Thermal Shape Stability of fcc Metal Nanocrystals Synthesized with Faceted Nonequilibrium Shapes

The Journal of Physical Chemistry C, 2024

Scott Southern Yuting Li Da-Jiang Liu Aaron Sadow Long Qi Frédéric Perras

Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species

ACS Catalysis, 2024

King C. Lai Da-Jiang Liu James W. Evans

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

The Journal of Chemical Physics, 2023

Pranjali J. Naik Pranaw Kunal Da-Jiang Liu James W. Evans Igor I. Slowing

Efficient transfer hydrodehalogenation of halophenols catalyzed by Pd supported on ceria

Applied Catalysis A: General, 2023

Zheren Shen Da-Jiang Liu James W. Evans

Generic two-phase coexistence in a type-2 Schloegl model for autocatalysis on a square lattice: Analysis via heterogeneous master equations

Physical Review E, 2023

Scott A. Southern Da-Jiang Liu Puranjan Chatterjee Yuting Li Frédéric A Perras

1H chemical shift anisotropy: a high sensitivity solid-state NMR dynamics probe for surface studies?

Physical Chemistry Chemical Physics, 2023

Da-Jiang Liu James W. Evans

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

The Journal of Chemical Physics, 2023

Da-Jiang Liu James W. Evans

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

The Jouranl of Chemical Physics, 2022

Da-Jiang Liu James W. Evans

Sulfur-enhanced dynamics of coinage metal(111) surfaces: Step edges versus terraces as locations for metal-sulfur complex formation

Journal of Vacuum Science & Technology A, 2022

Takeshi Kobayashi Da-Jiang Liu Frédéric A Perras

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

Chemical Communications, 2022

Carena L. Daniels Da-Jiang Liu Marquix AS Adamson Megan Knobeloch Javier Vela

Azo(xy) vs Aniline Selectivity in Catalytic Nitroarene Reduction by Intermetallics: Experiments and Simulations

The Journal of Physical Chemistry C, 2021

Da-Jiang Liu Chi-Jen Wang James W. Evans

Phase transitions in Schloegl’s second model for autocatalysis on a Bethe lattice

Physical Review E, 2021

Peter M. Spurgeon Da-Jiang Liu Theresa L. Windus James W. Evans Patricia A. Thiel

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au

ChemPhysChem, 2021

Alexander L. Paterson Da-Jiang Liu Uddhav Kanbur Arron D. Sadow Frédéric A. Perras

Observing the three-dimensional dynamics of supported metal complexes

Inorganic Chemistry Frontiers, 2021

J. W. Evans, P. M. Spurgeon, D.-J. Liu, T. L. Windus, and P. A. Thiel

Enhanced nanostructure dynamics on Au(111) with adsorbed S due to Au-S complex formation

ChemPhysChem, 2020

D.-J. Liu, J. W. Evans, P. M. Spurgeon, and P. A. Thiel

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

J. Chem. Phys., 2020

C.-J. Wang, D.-J. Liu, and J. W. Evans

Extended families of critical and stationary droplets for nonequilibrium phase tranistions in spatially discrete bistable system

Phys. Rev. E, 2020

L. Wei, D.-J. Liu, B. A. Rosales, J. W. Evans, and J. Vela

Mild and Selective Hydrogenation of Nitrate to Ammonia in the Absence of Noble Metals

https://doi.org/10.1021/acscatal.9b05338, 2020

P. M. Spurgeon, D.-J. Liu, J. Oh, Y. Kim, and P. A. Thiel

Identification of an AgS2 Complex on Ag(110)

Scientific Report, 2019

D.-J. Liu, P. M. Spurgeon, J. Lee, T. L. Windus, P. A. Thiel, J. W. Evans

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

Physical Chemistry Chemical Physics, 2019

P. M. Spurgeon, D.-J. Liu, H. Walen, J. Oh, H. J. Yang, Y. Kim, and P. A. Thiel

Characteristics of sulfur atoms adsorbed on Ag(100), Ag(110), and Ag(111) as probed with scanning tunneling microscopy: experiment and theory

Physical Chemistry Chemical Physics, 2019

J. Lee, T. L. Windus, P. A. Thiel, J. W. Evans, and D.-J. Liu

Coinage Metal–Sulfur Complexes: Stability on Metal(111) Surfaces and in the Gas Phase

J. Phys. Chem. C, 2019

K. C. Lai, Y. Han, P. Spurgeon, W. Huang, P. A. Thiel, D.-J. Liu, and J. W. Evans

Reshaping, Intermixing, and Coarsening for Metallic Nanocrystals: Nonequilibrium Statistical Mechanical and Coarse-Grained Modeling

Chem. Rev., 2019

K. C. Lai, D.-J. Liu, P. A. Thiel, and J. W. Evans

Modeling of Diffusivity for 2D Vacancy Nanopits and Comparison with 2D Adatom Nanoislands on Metal(100) Surfaces Including Analysis for Ag(100)

J. Phys. Chem. C, 2018

D.-J. Liu, C.-J. Wang, and J. W. Evans

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

Phys. Rev. Lett., 2018