Prof. Guo Na is a computational and physical chemist whose research bridges quantum chemistry, materials science, and nanomaterials for next-generation catalysis and energy technologies. Her work focuses on unraveling atomic-scale mechanisms that govern chemical reactivity, electrocatalytic conversion, and low-dimensional material behavior, with strong emphasis on first-principles modeling, computational simulations, and structure–property relationships in two-dimensional systems. She has made influential contributions to the design of atomically precise catalysts, including graphene-based platforms, single-atom catalysts, metal–carbon monolayers, and photo-responsive nanomaterials. Her studies have advanced understanding of electrochemical hydrogenation, CO2/CO reduction, nitrogen reduction, and molecular reactivity at metal–surface interfaces, providing pathways for sustainable chemical transformations. Across her career, she has collaborated extensively on multidisciplinary investigations published in leading journals such as Nature, Nature Communications, JACS, Angewandte Chemie, and Advanced Materials. Her research has also shed light on the physics of low-dimensional materials, optoelectronic modulation, and nanoscale device behavior, supported by advanced computational modeling of charge transfer, catalytic activation, and surface dynamics. Her publication record is reflected in Scopus with 107 citations from 107 documents and an h-index of 2, alongside additional visibility on Google Scholar, highlighting both the breadth and collaborative nature of her work. Overall, her research portfolio integrates theoretical rigor with practical applications in catalysis, clean energy, electronic materials, and molecular engineering, contributing significantly to material innovation and sustainable chemistry.
Publication Profile
Scopus
Featured Publications
Liu, X., Hu, C., Guo, N., Li, X., & Liu, B. (2025). Ruthenium-catalyzed electrochemical ketone hydrogenation to secondary alcohols under ambient conditions. Angewandte Chemie International Edition.
Tang, S., Guo, N., Chen, C., Yao, B., Liu, X., Ma, C., Liu, Q., Ren, S., He, C., & Liu, B. (2025). Electrochemical alkyne semi-hydrogenation via proton-coupled electron transfer on Cu(111) surface. Angewandte Chemie.
Yang, H., Guo, N., Zhang, C., Wang, L., et al. (2025). Scalable H2O2 production via O2 reduction using immobilized vanadyl phthalocyanine. Angewandte Chemie International Edition.
Su, J., Guo, N., Lu, J., Zhang, C., et al. (2024). Intelligent synthesis of magnetic nanographenes via chemist-intuited atomic robotic probe. Nature Synthesis.
Lyv, P., Guo, N., Lu, J., Zhang, C., et al. (2024). Air-stable wafer-scale ferromagnetic metallo-carbon nitride monolayer. Journal of the American Chemical Society.