Doping and Electronic Properties of Graphene Systems

Graphene, a single layer of sp2-bonded carbon atoms arranged in a honeycomb lattice, exhibits remarkable electrical conductivity, mechanical strength and thermal transport but lacks an intrinsic band gap. Doping strategies—whether by substitution of carbon atoms with heteroatoms or by surface adsorption of foreign species—offer routes to tailor its electronic structure. Substitutional dopants such as boron, nitrogen, silicon or aluminium introduce localised states near the Fermi level, enabling control over carrier type and density, opening finite band gaps or inducing magnetism. Adsorbed atoms, molecules or clusters can donate or withdraw charge, shifting the Dirac point and modulating optical response. Recent advances in atomic-scale patterning and defect-engineering enable precise symmetry control over dopant arrangements, thereby governing semimetal-to-semiconductor transitions. These modifications underpin emerging applications in field-effect transistors, spintronic devices, sensors and energy storage, demonstrating the global significance of doped graphene as a versatile platform for next-generation electronics and optoelectronics.

Research from Nature Portfolio

Recent studies have elucidated how symmetry and periodicity of dopant islands govern the emergence of a band gap in chemically doped graphene. It has been shown that arranged patterns of boron–nitrogen pairs can transform graphene from semimetallic to semiconducting by breaking sublattice symmetry and inducing a gap at the Dirac point. Separate investigations into silicon-doped graphene reveal that Si atoms, whether adsorbed or substituted, retain the planar honeycomb lattice yet generate free carriers or finite band gaps depending on configuration. Detailed first-principles analysis of Si-substituted and Si-adsorbed systems unifies geometric, electronic and orbital projections to illustrate how bond strength and charge redistribution control transport properties, suggesting potential as high-performance battery anode materials.

Doping and Electronic Properties of Graphene Systems publication trend

The graph below shows the total number of articles in doping and electronic properties of graphene systems across all publications each year (not limited to Nature Index journals).

Technical terms

Dirac point: The location in graphene’s band structure where valence and conduction bands meet linearly, yielding massless charge carriers.

Band gap: The energy difference between valence and conduction bands; crucial for determining semiconducting behaviour.

Substitutional doping: Replacement of carbon atoms within the lattice by heteroatoms to introduce new electronic states.

Adsorption: Attachment of atoms or molecules onto the graphene surface, enabling charge transfer without altering the lattice.

Half-metallicity: A state in which electrons of one spin channel are metallic while the opposite channel is semiconducting or insulating.

Spin polarisation: Imbalance in the population of spin-up and spin-down electrons, enabling magnetic and spintronic functionalities.

First-principles calculations: Computational methods based on fundamental quantum mechanics, often using density functional theory, to predict material properties without empirical parameters.

References

1. Symmetry induced semimetal-semiconductor transition in doped graphene. Scientific Reports (2016).
2. Rich essential properties of Si-doped graphene. Scientific Reports (2020).
3. Alkaline earth atom doping-induced changes in the electronic and magnetic properties of graphene: a density functional theory study. RSC Advances (2021).
4. Substantial Variations in the Optical Absorption and Reflectivity of Graphene When the Concentrations of Vacancies and Doping with Fluorine, Nitrogen, and Oxygen Change. International Journal of Molecular Sciences (2021).
5. First-principle study on electronic and optical properties of (Al, P, Al-P) doped graphene. Materials Research Express (2020).