Alessio Gagliardi

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Publications (43)

• Multiscale Modeling of the RESET Sweep in a Single-Layer MoS2 Atomristor Using Density Functional Theory
  ACS Omega 2026 DOI: 10.1021/acsomega.6c02926
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• A Dynamic Evaluation of Cisplatin Encapsulation into [Pd2L4]4+ Metallacages in Solution
  ACS Nano Medicine 2026 DOI: 10.1021/acsnanomed.6c00024
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• Finite-Temperature Evolution of Frenkel Defects in Hybrid Perovskites: Healing and Lead-Methylammonium Antisite Pairs
  ACS Applied Materials & Interfaces 2026 DOI: 10.1021/acsami.6c02743
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• Computational Workflow to Unravel the Structural Dynamics of Supramolecular Metallacages in Solution
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c01465
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• Process Parameter Specification and Control in Solution Processing of Hybrid Perovskite Photovoltaics: From Domain‐Specific Jargon to Evidence‐Based, Unambiguous Description of Experimental Workflows
  Advanced Energy Materials 2025 DOI: 10.1002/aenm.202503187
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• Auristor: Self-Learning Edge States from Chirality-Breaking Growth of Graphene Nanoribbons–A Computational Study of Resonant Scattering and Memcapacitive Behavior
  The Journal of Physical Chemistry C 2025 DOI: 10.1021/acs.jpcc.5c03062
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• Single-Layer MoS2-Based Atomristor’s Resistive Switching Model for SET Sweep with Density Functional Theory Simulations
  ACS Applied Electronic Materials 2025 DOI: 10.1021/acsaelm.5c00061
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• Trace Adsorptive Removal of PFAS from Water by Optimizing the UiO‐66 MOF Interface
  Advanced Materials 2025 DOI: 10.1002/adma.202413120
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• Drift-diffusion modeling of perovskite solar cells: past and future possibilities
  EES Solar 2025 DOI: 10.1039/D5EL00040H
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• Conductive filament distribution in nano-scale electrochemical metallization cells
  Nanoscale 2024 DOI: 10.1039/D4NR02870H
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