Adsorption Phenomena in Two-Dimensional Materials

Adsorption on atomically thin sheets has emerged as a cornerstone of advanced materials science, driven by the exceptional surface-to-volume ratio and tunable electronic properties of two-dimensional (2D) systems. In these ultrathin platforms, gas molecules, ions or organic species interact via a spectrum of binding modes that range from weak van der Waals physisorption to stronger chemisorption with partial covalent character. The resulting interfacial phenomena can induce significant charge transfer, modulate local electronic states and even trigger magnetism or catalytic activity. Key factors governing adsorption include the intrinsic electronic structure of the host layer, the presence of native or engineered defects, heteroatom doping and mechanical strain. Graphene, transition-metal dichalcogenides (TMDs), phosphorene and related materials each exhibit distinct adsorption signatures, offering tailored affinity for specific analytes. Practical applications span gas sensing with rapid response and recovery, selective separation of pollutants in water treatment, heterogeneous catalysis for energy conversion and resistive-switching devices. Ongoing research seeks to balance sensitivity, selectivity and regenerability through controlled functionalisation and defect engineering, while theoretical modelling—most often based on density functional theory—provides atomic-level insight into binding energetics and charge redistribution. The global significance of these efforts lies in environmental monitoring, clean-energy technologies and next-generation electronic and optoelectronic devices.

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Adsorption Phenomena in Two-Dimensional Materials publication trend

The graph below shows the total number of articles in adsorption phenomena in two-dimensional materials across all publications each year (not limited to Nature Index journals).

Technical terms

Adsorption energy: The change in energy when a molecule binds to a surface, indicating the strength of interaction.

Physisorption: Reversible binding dominated by weak van der Waals forces with minimal charge transfer.

Chemisorption: Stronger binding involving partial or full covalent bond formation and significant charge redistribution.

Charge transfer: Movement of electronic charge between adsorbate and substrate, affecting the electronic structure of the material.

Density functional theory (DFT): A quantum-mechanical modelling method used to calculate binding energies and electronic properties of materials.

Two-dimensional materials: Ultrathin crystalline sheets, often a single layer of atoms, with high surface area and distinctive electronic properties.

References

1. First-Principles Insights into Highly Sensitive and Reusable MoS2 Monolayers for Heavy Metal Detection. Micromachines (2024).
2. Unraveling the influence of defects on Sulfonamide adsorption onto Blue-phosphorene nanotube using density functional theory.. PLOS ONE (2025).
3. Aromatic Volatile Organic Compounds Adsorption on Tungsten Diselenide Monolayer. Journal of Physics Conference Series (2023).