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ACS Omega|November 24, 2025
2‑Thiouracil Antithyroid Drug Delivery with Functionalized BC3 Monolayers: A First-Principles StudyShengtian Hong, Xuan LuoDiscover Oncology|June 17, 2026
Establishment and validation of an ADP-ribosylation-related gene signature for prognostic prediction in lung adenocarcinomaXuan LuoRSC Advances|May 6, 2022
A first-principles investigation of α, β, and γ-MnO2 as potential cathode materials in Al-ion batteriesJoshua Fu, Xuan LuoRSC Advances|May 6, 2022
A first-principles study on potential chelation agents and indicators of Alzheimer's diseaseBryan Wang, Xuan LuoRSC Advances|May 2, 2022
Li-doped beryllonitrene for enhanced carbon dioxide captureAndrew Pu, Xuan LuoMaterials (Basel, Switzerland)|November 13, 2025
Discovery of Room-Temperature Topological Insulators in Functionalized Group VA-VA Binary Monolayers: A First-Principles InvestigationClement Ding, Xuan LuoRSC Advances|January 8, 2026
First-principles investigation of transition-metal doped Al2B2 and AlB4 monolayers for spintronicsJueFei Wang, Xuan LuoRSC Advances|October 30, 2023
First-principles investigation of possible room-temperature topological insulators in monolayersAlina Chen, Xuan LuoACS Omega|February 26, 2024
Au- and Pd-Doped SnS2 Monolayers for Lung Cancer Biomarkers (C3H6O, C6H6, and C5H8) Detection: A Density Functional Theory InvestigationHongyi Liu, Xuan LuoACS Omega|January 29, 2024
Theoretical Investigation of the BCN Monolayer and Their Derivatives for Metal-free CO2 Photocatalysis, Capture, and UtilizationJingyuan Wang, Xuan LuoPageof 61