Thin Film Simulation

atomic interface

flash tem

molecule surface

Many technologies require the deposition of materials in thin, high-quality films.  Examples in the electronics field include CMOS transistors, memories (DRAM, NVM/flash) and high value capacitors for RF decoupling and signal processing. Smaller, faster and more powerful capacitors and memories can be made if the materials can be fabricated in thinner and thinner layers. More efficient sensors, fuel cells and photocatalysts can also be manufactured if active materials can be deposited in thin layers. With scaling down to nanometre-thin layers, it becomes increasingly important to process these films in a controlled way and to understand the interfaces that dominate their properties.

We apply atomic-scale simulation to find out more about properties, processing and growth of these ultra-thin films. Our aim is to use computational chemistry and materials science to invent new materials and processes, that in turn will be part of future technological advances.

Atomic layer deposition (high-k dielectrics and metals)

Materials discovery (interactions, surfaces and interfaces)


Flash memory

Charge trapping in nitrides

On-chip capacitors in mobile phones, analogue-digital convertors, DRAM memory

Deposition of dielectric films: alumina, hafnia/zirconia and rare earth oxides

CMOS transistors

Oxide - semiconductor interface; 'Clean-up' of III-V native oxides


Phase transitions in magnetic materials


Solar-powered hydrogen production

Photocatalytic materials and catalytic materials


Silicon Nanowire Photovoltaics

Amorphous-crystalline silicon interfaces

Solar cells and smart windows

Design of transparent electrodes


Medical stents

Biocompatibility of shape-change alloys

Medical diagnostics

Luminescent sensors for biomolecules


Satellite-based telescope lenses

Thin films of X-ray reflective metals

Industry and technology partners:

We have joint papers or bilateral projects with:

In addition, we are involved in multi-lateral projects with other companies.

University collaboration:

We have joint papers or bilateral projects with:

as well as multi-lateral projects with other research groups world-wide.

Our students are registered with University College Cork.

Ireland fund ecsf ucc
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