Recent News
Computer Programs
The DB group has pioneered several user-friendly computer programs to predict the bulk and interfacial behavior of pure and mixed surfactant systems. Read more...
Publications
2021
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: Diameter Dependence of Water Filling in Lithographically Segmented Isolated Carbon Nanotubes, ACS Nano 15, 2778-2790 (2021).
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: Ion Adsorption at Solid/Water Interfaces: Establishing the Coupled Nature of Ion–Solid and Water–Solid Interactions, The Journal of Physical Chemistry C 125, 2666-2679 (2021).
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: Predicting Gas Separation through Graphene Nanopore Ensembles with Realistic Pore Size Distributions, ACS Nano 15, 1727−1740 (2021).
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: Uncovering a Universal Molecular Mechanism of Salt Ion Adsorption at Solid/Water Interfaces, Langmuir 37, 722–733 (2021).
2019
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: Analytical Prediction of Gas Permeation through Graphene Nanopores of Varying Sizes: Understanding Transitions across Multiple Transport Regimes, ACS Nano 13, 11809−11824 (2019).
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: Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective, J. Phys. Chem. C 123, 21309−21326 (2019).
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: Theory of Surface Forces in Multivalent Electrolytes, Langmuir 35, 11550−11565 (2019).
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: Multi-scale approach for modeling stability, aggregation, and network formation of nanoparticles suspended in aqueous solutions, Nanoscale 11, 3979-3992 (2019).
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: Addressing the Isomer Cataloging Problem for Nanopores in Two-Dimensional Materials, Nature Materials 18, 129-135 (2019).
2018
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: Stable, Temperature Dependent Gas Mixture Permeation and Separation through Suspended Nanoporous Single-Layer Graphene Membranes, Nano Letters 18, 5057-5069 (2018).
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: Ab Initio Molecular Dynamics and Lattice Dynamics Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications, The Journal of Physical Chemistry Letters 9, 1584−1591 (2018).
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: Molecular Rotors for Universal Quantitation of Nanoscale Hydrophobic Interfaces in Microplate Format, Nano Letters 18, 618–628 (2018).
2017
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: Schizophrenic Diblock Copolymer Functionalized Nanoparticles as Temperature Responsive Pickering Emulsifiers, Langmuir 33, 13326−13331 (2017).
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: Insights on the Role of Many-Body Polarization Effects in the Wetting of Graphitic Surfaces by Water, The Journal of Physical Chemistry C 121, 28166–28179 (2017).
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: Mechanism and Prediction of Gas Permeation through Sub-Nanometer Graphene Pores: Comparison of Theory and Simulation, ACS Nano 11, 7974-7987 (2017).
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: CO2-Reactive Ionic Liquid Surfactants for the Control of Colloidal Morphology, Langmuir 33, 7633-7641 (2017).
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: Combined Molecular Dynamics Simulation-Molecular Thermodynamic Theory Framework for Predicting Surface Tensions, Langmuir 33, 8319-8329 (2017).
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: Fabrication, Pressure Testing and Nanopore Formation of Single Layer Graphene Membranes, The Journal of Physical Chemistry C 121, 14312–14321 (2017).
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: Understanding the Colloidal Dispersion Stability of 1D and 2D Materials: Perspectives from Molecular Simulations and Theoretical Modeling, Advances in Colloid and Interface Science 244, 36-53 (2017).
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