Planned intervention: On Wednesday June 26th 05:30 UTC Zenodo will be unavailable for 10-20 minutes to perform a storage cluster upgrade.
Published March 17, 2023 | Version v1
Dataset Open

Simulated thickness profiles of ALD film in a wide microchannel of 500 nm height published as Fig.4 in PCCP 24 (2022) 8645-8660

  • 1. Aalto University


A series of simulated thickness profiles of atomic layer deposition (ALD) film grown in a wide lateral high-aspect-ratio (LHAR) microchannel is archived as an Excel file. This dataset has been published as Figure 4 in the publication "Conformality of atomic layer deposition in microchannels: impact of process parameters on the simulated thickness profile" (Yim and Verkama et al., Phys. Chem. Chem. Phys. 24 (2022) 8645-8660. A diffusion-reaction model by Ylilammi et al. (Ylilammi et al., J. Appl. Phys. 123 (2018) 205301. was re-implemented for the simulation. For this simulation, a channel height of 500 nm, which is a typical height for microscopic PillarHallTM LHAR test chips (Yim and Ylivaara et al., Phys. Chem. Chem. Phys., 22 (2020) 23107-23120., was used.
The Excel file consists of 11 tabs in total: metadata, baseline thickness profile, and Fig4a to Fig4i. The baseline thickness profile and data of fig4a Fig4i are also available as a CSV file. The metadata page describes the data with its baseline conditions. The baseline conditions used in the simulation are: sticking coefficient = 0.01, temperature = 250 °C, initial partial pressure of Reactant A = 100 Pa, molar mass of Reactant A = 0.100 kg mol-1, hard-sphere diameter of Reactant A = 6 × 10-10 m, partial pressure of inert gas I = 500 Pa, molar mass of inert gas I = 0.028 kg mol-1, hard-sphere diameter of inert gas I = 3.74 × 10-10 m, mass density of deposited film = 3500 kg m-3, areal number density of metal M atoms in MyZx material = 4 nm-2, number of metal atoms in a Reactant A molecule = 1, number of metal atoms in a formula unit of growing film = 1, number of cycle = 250, desorption probability = 0.01 s-1, channel height = 500 nm, and channel width = 10 mm. The baseline thickness profile tab contains a thickness profile obtained in the baseline conditions as film thickness versus distance within a microchannel. The thickness profile stored from Fig4a to Fig4i tabs was obtained by varying individual parameters with other parameter values in baseline conditions: initial partial pressure of Reactant A (Fig4a), pulse time (Fig4b), molar mass of Reactant A (Fig4c), mass density of deposited film (Fig4d), adsorption density (Fig4e), desorption probability (Fig4f), sticking coefficient (Fig4g), temperature (Fig4h) and partial pressure of inert gas (Fig4i).


The open code DReaM-ALD (Diffusion-Reaction Model - ALD) is available on GitHub ( and published to Zenodo (



Files (766.9 kB)

Name Size Download all
12.6 kB Preview Download
33.2 kB Preview Download
33.2 kB Preview Download
31.8 kB Preview Download
32.4 kB Preview Download
32.3 kB Preview Download
32.3 kB Preview Download
32.6 kB Preview Download
32.3 kB Preview Download
32.3 kB Preview Download
461.6 kB Download

Additional details

Related works

Is documented by
Journal article: 10.1039/D1CP04758B (DOI)
Preprint: 10.26434/chemrxiv-2021-2j4n1-v3 (DOI)


Renable Carbon Cycle: Conversion of CO2 to Fuels with Tailored Heterogeneous Catalysts / Consortium: COOLCAT 329978
Academy of Finland
Reactive flow in porous media: modelling and experiments in atomic layer deposition context / Consortium: ALDI 331082
Academy of Finland