The invention belongs to the fields of anti-tumor targeted drug research and development, and especially relates to a composition, a preparation method and an application thereof in a killing cell strain. The present invention provides a composition comprising black phosphorus, 5-aminolevulinic acid, polyethylene glycol, and a transferrin receptor binding peptide. The present invention also provides a preparation method of the above composition, and the present invention provides the application of the above composition or a product obtained by the above preparation method for killing SAS, HSC-2 and HSC-3 cell strains. According to the experimental determination, compared with a positive control drug, the product prepared by the technical solution provided by the invention has a significant inhibitory effect on the growth and reproduction of the tumor cell strain, and can further promote the apoptosis of the tumor cell. The invention provides the composition, the preparation method andthe application thereof in the killing cell strain, which solve the problem that the tumor targeting drug has difficulty in balancing the in vivo stability, the targeted aggregation ability and the carrier degradation performance, and other technical defects in the prior art.