Adsorption Dynamics on Carbon-Based Materials

Adsorption on carbonaceous substrates encompasses the accumulation of molecular or atomic species at the interface of an adsorbent and an adsorbate. Carbon-based materials such as activated carbon, graphene, carbon nanotubes and graphite offer high surface areas, tunable porosity and variable surface chemistry that render them ideal for a wide spectrum of applications, from gas storage and separation to catalysis and environmental remediation. The dynamics of adsorption involve both thermodynamic driving forces—governed by adsorption energy, temperature and pressure—and kinetic factors such as diffusion rates within pores, surface heterogeneity and the presence of functional groups. Physisorption, dominated by van der Waals interactions, often governs reversible uptake at low temperatures, whereas chemisorption may occur through covalent bond formation at defect sites or heteroatom dopants. Modern techniques including neutron and X-ray scattering, infrared spectroscopy and model-based density functional theory (DFT) calculations have advanced understanding of atomic-scale adsorption mechanisms, revealing how molecular orientation, pore size distribution and surface modification influence uptake capacity and selectivity. The interplay between experimental observation and computational modelling has become critical in designing carbon materials tailored for specific processes such as hydrogen storage, carbon dioxide capture, pollutant removal and membrane separations. Emerging trends focus on two-dimensional carbons and hierarchical architectures that combine micro- and mesopores, exploitation of edge and defect sites for enhanced binding and the integration of carbon adsorbents into hybrid systems for multifunctional performance.

Research from Nature Portfolio

No recent Nature Portfolio content available.

Adsorption Dynamics on Carbon-Based Materials publication trend

The graph below shows the total number of articles in adsorption dynamics on carbon-based materials across all publications each year (not limited to Nature Index journals).

Technical terms

Physisorption: Adsorption governed by weak intermolecular forces (van der Waals), typically reversible and characterised by low heats of adsorption.

Chemisorption: Adsorption involving formation of chemical bonds between adsorbate and surface, often irreversible and associated with higher adsorption energies.

Van der Waals interactions: Dispersion forces arising from instantaneous polarisation of molecules or atoms, crucial for physisorption on non-polar surfaces.

Adsorption energy: The change in enthalpy when one mole of adsorbate molecules adheres to a surface, indicating strength of interaction.

Density Functional Theory (DFT): A quantum-mechanical modelling method used to calculate electronic structure and predict adsorption geometries and energies at the atomic level.

Overlayer: A monolayer or multilayer of adsorbate molecules organised atop a crystalline substrate surface.

References

1. Adsorption of Water on Two-Dimensional Crystals: Water/Graphene and Water/Silicatene. Inorganics (2016).
2. How does tuning the van der Waals bonding strength affect adsorbate structure?. Physical Chemistry Chemical Physics (2022).
3. A density functional theory analysis of the adsorption and surface chemistry of inorganic iodine species on graphitea. Frontiers in Nuclear Engineering (2023).