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Macroscopic surface charges from microscopic simulations.
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Molecular Dynamics Investigation of the Dielectric Decrement of Ion Solutions
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Understanding Molecular Simulation: From Algorithms to Applications
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Effects of Inorganic Ions on Ice Nucleation by the Al Surface of Kaolinite Immersed in Water
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Simulations of Ice Nucleation by Model AgI Disks and Plates
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Simulations of Ice Nucleation by Kaolinite (001) with Rigid and Flexible Surfaces
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Atomistic Simulation of Ice Nucleation on Silver Iodide (0001) Surfaces with Defects
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Computing the Kirkwood g -Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water
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Coupling of Surface Chemistry and Electric Double Layer at TiO2 Electrochemical Interfaces
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Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations
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Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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Molecular Dynamics Modeling of Ion Adsorption to the Basal Surfaces of Kaolinite
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Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
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Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions
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Analytic theory of finite-size effects in supercell modeling of charged interfaces
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Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions
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Ewald artifacts in computer simulations of ionic solvation and ion–ion interaction: A continuum electrostatics study
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Ewald summation for systems with slab geometry
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Non-equilibrium simulations of thermally induced electric fields in water
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The surface charge distribution affects the ice nucleating efficiency of silver iodide
inferredcites →https://doi.org/10.1063/1.4968796openalex-snapshot
Ice formation on kaolinite: Insights from molecular dynamics simulations
inferredcites →https://doi.org/10.1063/1.4987019openalex-snapshot
Charge compensation at the interface between the polar NaCl(111) surface and a NaCl aqueous solution
inferredcites →https://doi.org/10.1063/1.5054843openalex-snapshot
Finite electric displacement simulations of polar ionic solid-electrolyte interfaces: Application to NaCl(111)/aqueous NaCl solution
inferredcites →https://doi.org/10.1073/pnas.2005847117openalex-snapshot
Dielectric response with short-ranged electrostatics
inferredcites →https://doi.org/10.1073/pnas.96.7.3358openalex-snapshot
Surface geochemistry of the clay minerals
inferredcites →https://doi.org/10.1080/00268976.2018.1431406openalex-snapshot
Finite Maxwell field and electric displacement Hamiltonians derived from a current dependent Lagrangian
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Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems
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The stability of ionic crystal surfaces
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A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
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Computer Simulation of Liquids
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Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
inferredcites →https://doi.org/10.1103/physrevlett.108.166403openalex-snapshot
Rigorous Definition of Oxidation States of Ions in Solids
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Computer Simulation Using Particles
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Stabilization of AgI's polar surfaces by the aqueous environment, and its implications for ice formation.
inferredcites →https://doi.org/10.17863/cam.43164openalex-snapshot
Finite field formalism for bulk electrolyte solutions
inferredcites →https://doi.org/10.17863/cam.48749openalex-snapshot
Electromechanics of the liquid water vapour interface.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular models of hematite, goethite, kaolinite, and quartz: Surface terminations, ionic interactions, nano topography, and water coordination
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Local probing of the nanoscale hydration landscape of kaolinite basal facets in the presence of ions
inferred← citeshttps://doi.org/10.1021/acs.accounts.2c00004openalex-snapshot
Chemical Nature of Heterogeneous Electrofreezing of Supercooled Water Revealed on Polar (Pyroelectric) Surfaces
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c01113openalex-snapshot
Role of Surface Templating on Ice Nucleation Efficiency on a Silver Iodide Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c01306openalex-snapshot
Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions
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Disordering effect of the ammonium cation accounts for anomalous enhancement of heterogeneous ice nucleation
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Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors
inferred← citeshttps://doi.org/10.48550/arxiv.2106.12291openalex-snapshot
Comment on "Macroscopic surface charges from microscopic simulations" [J. Chem. Phys. 153, 164709 (2020)]
inferred← citeshttps://doi.org/10.5194/acp-22-10099-2022openalex-snapshot
Atomistic and coarse-grained simulations reveal increased ice nucleation activity on silver iodide surfaces in slit and wedge geometries
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