The positively charged POZ-M(+) NRs prepared with ABA amphiphilic polymer surfactant showed superior photocatalytic activity to negatively charged POZ-M(-) NRs covered with PEG by 2 orders of magnitude. From electrophoresis experiment, photophysical study and Cryo-EM morphology analysis studies, it is suggested that positively charged POZ-M(+) NRs with favourable surface charge and elongated morphology have intimate interaction with all components used in photocatalysis, which is therefore beneficial for having an enhanced photocatalytic performance as compared to the negatively charged POZ-M(-) NRs. This work demonstrates a new straightforward and universal strategy of small organic molecular nanoparticles functionalization with suitable surfactants in water to match the needs from biocatalyst and points out the importance of surface charges of the nanoparticle in the interaction between the artificial photosensitizer and the biocatalyst, that can be successfully translated for developing future bio-hybrid photocatalytic systems for solar fuels and solar chemicals production.