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Adri C. T. van Duin

Pennsylvania State University
California Institute of Technology
University of Newcastle

563

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25076

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Mechanistic study of pH effect on organic solvent nanofiltration using carboxylated covalent organic framework as a modeling and experimental platform

2022 Separation and Purification Technology
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Effects of interlayer confinement and hydration on capacitive charge storage in birnessite.

2021 Nature Materials
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Understanding physical chemistry of BaxSr1-xTiO3 using ReaxFF molecular dynamics simulations.

2021 Physical Chemistry Chemical Physics
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Atomistic insights into the degradation of halide perovskites: a reactive force field molecular dynamics study.

2021 arXiv: Materials Science
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ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheet and water nanodroplets

2021 Physical Chemistry Chemical Physics
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Nanomechanical investigation of the interplay between pore morphology and crack orientation of amorphous silica

2021 Engineering Fracture Mechanics
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A ReaxFF Force Field for 2D-WS2 and Its Interaction with Sapphire

2021 Journal of Physical Chemistry C
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Mechanical and Electronic Properties of Graphene under Periodically Modulated Strain

2021 Bulletin of the American Physical Society
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Using C-DFT to Develop an e-ReaxFF Force Field for Acetophenone Radical Anion

2021 Journal of Chemical Physics
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Decoupling Proton and Cation Contributions to Capacitive Charge Storage in Birnessite in Aqueous Electrolytes

2021
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