Nanometer-scale chemical modification of 2D materials

2019-2021

This project focuses on studying atomic scale modification of extremely thin, two-dimensional materials. We are investigating the interactions of gas molecules with the materials while sweeping the system with a beam of electrons. Under the electron irradiation, the gas molecules undergo a chemical reaction leading to the etching of the two-dimenstional material. This can have a radical effect on the materials properties, and under a controlled environment, could be used to create new nanostructures, such as nanowires and pores.

We are using the help of atomistic simulations to understand the rapid chemical processes exactly at timescales beyond pure experimental observation. Neural networks are trained to create a potential energy function to describe large atomic systems while retaining full quantum accuracy. By understanding the gas-surface reactions our aim is to control the process and use this novel approach to engineer two-dimensional materials for the use of new nanoscale applications.

Funder: Austrian Science Fund

Project identifier: M 2595

Principal investigator: E. H. Åhlgren

Co-applicant: J. Kotakoski

Project publications

2024

Längle, M., Mizohata, K., Mangler, C., Trentino, A., Mustonen, K., Åhlgren, E. H., & Kotakoski, J. (2024). Two-dimensional few-atom noble gas clusters in a graphene sandwich. Nature Materials. https://doi.org/10.48550/arXiv.2306.15436, https://doi.org/10.1038/s41563-023-01780-1

Adžić, N., Jochum, C., Likos, C. N., & Stiakakis, E. (Accepted/In press). Engineering Ultrasoft Interactions in Stiff All-DNA Dendrimers by Site-Specific Control of Scaffold Flexibility. Small, [2308763]. https://doi.org/10.1002/smll.202308763

2023

Villarreal, R., Lin, P-C., Zarkua, Z., Bana, H., Tsai, H-C., Auge, M., Junge, F., Hofsäss, H., Tosi, E., De Feyter, S., De Gendt, S., Brems, S., Åhlgren, E. H., & Pereira, L. M. C. (2023). Bond defects in graphene created by ultralow energy ion implantation. Carbon, 203, 590-600. https://doi.org/10.1016/j.carbon.2022.12.005

2022

Ahlgren, E. H., Markevich, A., Scharinger, S., Fickl, B., Zagler, G., Herterich, F., McEvoy, N., Mangler, C., & Kotakoski, J. (2022). Atomic-Scale Oxygen-Mediated Etching of 2D MoS₂ and MoTe₂. Advanced Materials Interfaces, 9(32), [2200987]. https://doi.org/10.1002/admi.202200987

Zagler, G., Stecher, M., Trentino, A., Kraft, F., Su, C., Postl, A., Längle, M., Pesenhofer, C., Mangler, C., Ahlgren, E. H., Markevich, A., Zettl, A., Kotakoski, J., Susi, T., & Mustonen, K. (2022). Beam-driven dynamics of aluminium dopants in graphene. 2D Materials, 9(3), [035009]. https://doi.org/10.1088/2053-1583/ac6c30

Trentino, A., Mizohata, K., Zagler, G., Längle, M., Mustonen, K., Susi, T., Kotakoski, J., & Åhlgren, E. H. (2022). Two-step implantation of gold into graphene. 2D Materials, 9(2), [025011]. https://doi.org/10.1088/2053-1583/ac4e9c

2021

Villarreal, R., Lin, P-C., Faraji, F., Hassani, N., Bana, H., Zarkua, Z., Nair, M. N., Tsai, H-C., Auge, M., Junge, F., Hofsaess, H. C., De Gendt, S., De Feyter, S., Brems, S., Ahlgren, E. H., Neyts, E. C., Covaci, L., Peeters, F. M., Neek-Amal, M., & Pereira, L. M. C. (2021). Breakdown of Universal Scaling for Nanometer-Sized Bubbles in Graphene. Nano Letters, 21(19), 8103-8110. https://doi.org/10.1021/acs.nanolett.1c02470