Surface Chemistry of Semiconductor Materials

Surface chemistry of semiconductors concerns the atomic- and molecular-scale processes occurring at the interface of semiconductor solids and their surroundings. Central phenomena include adsorption, desorption, diffusion and covalent bond formation of organic and inorganic species on surfaces such as silicon, germanium or compound semiconductors. Control over these interfacial reactions is vital for minimising surface states that trap carriers, for tailoring band alignments and for enabling functional devices in electronics, optoelectronics and sensing. Modern investigations employ experimental methods—scanning tunnelling microscopy, high-resolution photoemission spectroscopy, molecular beam techniques—alongside density functional theory to elucidate bonding motifs, reaction pathways and kinetic barriers. Advancements in surface passivation, self-assembled monolayer formation and click-type coupling reactions continue to underpin developments in microelectronics, photovoltaics and emerging quantum technologies by achieving precise molecular-level engineering of semiconductor interfaces.

Research from Nature Portfolio

Recent studies have elucidated adsorption mechanisms of heterocyclic molecules on Ge(100) surfaces by combining high-resolution photoemission spectroscopy and density functional theory. These investigations revealed that furan engages in competing [4 + 2] cycloaddition and deoxygenation pathways to yield two distinct surface-bound species in a reproducible ratio. Thermodynamic calculations demonstrated a clear energetic preference for the cycloaddition and deoxygenation adducts, consistent with analysis of core-level binding energies. This work refines our understanding of five-membered heterocycle–semiconductor reactivity and suggests routes for tailored organic functionalisation of group IV surfaces under ultra-high vacuum conditions.

Surface Chemistry of Semiconductor Materials publication trend

The graph below shows the total number of articles in surface chemistry of semiconductor materials across all publications each year (not limited to Nature Index journals).

Technical terms

Adsorption: The process by which atoms or molecules adhere to a solid surface.

Chemisorption: Strong adsorption involving the formation of chemical bonds between adsorbate and substrate.

Cycloaddition: A chemical reaction in which two unsaturated species combine to form a cyclic adduct.

Density functional theory (DFT): A computational quantum mechanical approach to determine electronic structure of materials and molecules.

High-resolution photoemission spectroscopy (HRPES): A technique that probes electronic states by measuring the kinetic energy distribution of electrons emitted upon photon absorption.

Scanning tunnelling microscopy (STM): A surface imaging method that maps atomic-scale features by monitoring electron tunnelling currents between a sharp tip and the surface.

References

1. Adsorption behavior of furan at Ge(100) surface. Scientific Reports (2023).
2. van der Waals corrected DFT study of high coverage benzene adsorptions on Si(100) surface and STM simulations. Surface Science (2014).
3. Click Chemistry in Ultra‐high Vacuum – Tetrazine Coupling with Methyl Enol Ether Covalently Linked to Si(001). Chemistry - A European Journal (2021).
4. Adsorption dynamics of bifunctional molecules: Allyl methyl ether on Si(001). The Journal of Chemical Physics (2021).