TY - RPRT TI - Benchmarking a Molecular Flake Model on the Road to Programmable Graphene-Based Single-Atom Catalysts AU - Gallagher, Colin AU - Siddiqui, Wali AU - Arnold, Tyler AU - Cheng, Carmen AU - Su, Eric AU - Zhao, Qing PY - 2024 DO - 10.1021/acs.jpcc.3c07681 UR - https://www.osti.gov/biblio/2301735 ID - 2301735 ER -