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Table · dataset · 2026

Electron-Beam-Driven Ag Nanoparticle Evolution at ZIF-8/Ag<sub>3</sub>PO<sub>4</sub> Heterointerfaces

Listed in figshare and Loughborough Research Repository — shown once because both records carry DOI 10.1021/acs.langmuir.6c04357.s002

Silver orthophosphate (Ag<sub>3</sub>PO<sub>4</sub>) is a promising visible-light photocatalyst in which lattice Ag<sup>+</sup> ions can be reduced to metallic Ag<sup>0</sup> under external stimuli, but the subsequent evolution of these Ag species at heterogeneous interfaces remains poorly understood.

Description

Coupling Ag<sub>3</sub>PO<sub>4</sub> with porous, electron-transport-active frameworks such as zeolitic imidazolate framework-8 (ZIF-8) offers a route to modulate this behavior, yet how reduced Ag species migrate across such heterointerfaces remains unexplored.

Here, electron-beam irradiation (EBI) combined with time-resolved high-resolution transmission electron microscopy (HRTEM) reveals a previously unreported sequence of structural transformations in ZIF-8/Ag<sub>3</sub>PO<sub>4</sub> heterostructures. Under continuous irradiation, reduced Ag species generated within Ag<sub>3</sub>PO<sub>4</sub> diffuse through the ZIF-8 framework toward its outer surface, where they nucleate and grow into metallic Ag nanoparticles; prolonged exposure then drives their redistribution into the Ag<sub>3</sub>PO<sub>4</sub> matrix, showing that this interfacial silver transport is fully dynamic.

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Density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations reproduce the early stages of this process, revealing preferential electron accumulation within Ag<sub>3</sub>PO<sub>4</sub>, enhanced mobility of reduced Ag species, and the formation of Ag–Ag dimers as nucleation precursors. Together, these experimental and theoretical results establish a mechanism for electron-induced interfacial mass transport in MOF/semiconductor heterostructures, in which ZIF-8 acts not as a passive support but as an active medium that mediates silver migration and reversible interfacial reconstruction.

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Inferred from text
Microscopy 75%
Provenance · 2 source records, 41 field assertions
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