Biochar production from cellulose biomass is an alternative solution in the search for clean and renewable biofuel. However, the rational design of cellulose biochar (CLBC) for polycyclic aromatic hydrocarbons (PAHs) reduction by integrating pyrolysis process parameters and introducing heteroatoms as inhibitors remains to be studied. Therefore, exogenous heteroatoms (N, B, S, SB, NB, and NS) were used to modify CLBC for the first time. CLBC300 pyrolyzed at 300 degrees C in a CO2 atmosphere achieved the highest concentrations of PAHs (4982 +/- 271 ng g-1), compared with that of CLBC700 (3615 +/- 71 ng g-1) formed in a N2 atmosphere without heteroatom doping. The results showed that binary nitrogen- and sulfur-doped CLBC exhibited remarkable PAH-removal performance of 99 % with the lowest toxic equivalency (TEQ) value of 9 ng g-1. Overall, this study presents novel insights into the development of a heteroatom-based modification approach for reducing CLBC-borne PAHs and creating value-added products from cellulose biomass.