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Atomically Traceable Nanostructure Fabrication
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Simulation-Guided Atomic Layer Deposition Enables Deterministic Interfacial Mechanics for Predictive Nanoimprint

Chaoyu Chen1,2,3, Jiulong Li1,2,3, Youquan Jiang1,2,3

  • 1School of Integrated Circuits, Wuhan University, Wuhan, Hubei 430072, China.

ACS Applied Materials & Interfaces
|July 7, 2026
PubMed
Summary

Molecular/atomic layer deposition (MLD/ALD) coatings improve nanoimprint lithography (NIL) by controlling mold-resist interface interactions. Graphene coatings significantly reduce stress and deformation, enabling scalable nanomanufacturing.

Keywords:
ALD/MLD coatingsinterfacial mechanicsnanoimprint lithographypattern transferpredictive framework

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Area of Science:

  • Materials Science
  • Nanotechnology
  • Manufacturing Engineering

Background:

  • Nanoimprint lithography (NIL) faces scalability challenges due to mold-resist interface issues like fracture and deformation.
  • Current NIL methods lack coordinated control over adhesion, friction, and stress during imprinting.

Purpose of the Study:

  • To develop a strategy for actively regulating interfacial interactions in NIL using conformal molecular/atomic layer deposition (MLD/ALD) coatings.
  • To investigate graphene, Al2O3, and polyurea as MLD/ALD-grown interfacial layers for NIL molds.

Main Methods:

  • Integrated molecular dynamics simulations, finite element modeling, atomic force microscopy (AFM), and experimental imprinting.
  • Systematic investigation of MLD/ALD-grown materials (graphene, Al2O3, polyurea) as NIL mold interfacial layers.

Main Results:

  • Established quantitative links between coating chemistry, interfacial energetics, stress evolution, and pattern fidelity.
  • Graphene coatings reduced imprint-induced mechanical stress to ~20% of bare silicon, with ultralow surface energy and friction.
  • Identified coating-dependent thresholds in adhesion, friction, and elastic modulus for NIL mold design.

Conclusions:

  • MLD/ALD coatings offer a unified and predictive framework for active interfacial control in NIL.
  • Graphene coatings provide a pathway toward durable molds, efficient demolding, and high-precision nanoscale pattern transfer.
  • Actionable guidelines for coating selection were established for advanced nanomanufacturing.