Review: beyond the surface—exploring the complexities of 2D materials with density functional theory

Review/Survey Paper for DFT workflows. Review/survey candidate for mapping the literature, mechanisms, methods, and open questions in DFT workflows.

Citation: Mohammed Abdulabbas Hasan, Heider A. Abdulhussein. Review: beyond the surface—exploring the complexities of 2D materials with density functional theory. Journal of Materials Science 2025. https://doi.org/10.1007/s10853-025-11190-0

Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.