A research team at the University of Jyväskylä‘s Nanoscience Center has uncovered fundamental principles that could significantly improve the stability of metallenes
Study: Lateral graphene-metallene interfaces at the nanoscale. Image Credit: vectorfusionart/Shutterstock.com
These atomically thin metals, while promising for nanoscale applications, are inherently flimsy. Understanding these key principles may advance materials design, nano-electronics, energy production, and biomedicine.
The study was published in the journal Nanoscale.
Metallenes possess unique properties that make them attractive for future applications in advanced electronics, energy storage, sensors, and catalysis.
However, their tendency to collapse due to metallic bonding has complicated their synthesis, often requiring them to be confined within template materials.
The aim of our researcher group was to use a large-scale computational approach to conduct a systematic, microscopic analysis of metallene interfaces to discover the fundamental design principles for greater stability.
Pekka Koskinen, Professor and Study Team Leader, University of Jyväskylä
The researchers employed a computational method combining quantum-mechanical modeling with machine learning. This approach allowed for the analysis of the stability and properties of 1080 different graphene-metallene interfaces.
We found that interface stability depends on maintaining smooth, well-aligned geometries. Such clean edges provide strong resistance to defects and mechanical strain, whereas irregular boundaries promote destabilization.
Mohammad Bagheri, Postdoctoral Researcher, University of Jyväskylä
The study also revealed that metallenes composed of transition metals generally form the most stable interfaces. The research cemented the merits of using machine-learning models for predicting atomic-level interface behavior and provided a tool to accelerate the design and screening of new materials.
This systematic understanding provides useful geometric and elemental rule-of-thumb requirements for stability. This way, the research offers a guideline to accelerate the synthesis of more robust, larger-scale metallene structures.
Pekka Koskinen, Professor, University of Jyväskylä
This knowledge is a crucial achievement required for advancing metallenes from theoretical study toward real-world use in high-performance technology. The research is a key milestone for metallenes in applications across various fields, including electronics, energy conversion, and biomedicine.
Journal Reference:
Bagheri, M. & Koskinen, P. (2025). Lateral graphene-metallene interfaces at the nanoscale. Nanoscale. DOI: 10.1039/D5NR02770E.