A clear understanding of the factors governing the deposition and release behaviors of engineered nanoparticles (NPs), such as TiO NPs, is necessary for predicting their transport and fate in both natural and engineered aquatic environments. In this study, impacts of specific chemistries on TiO NP deposition, as a function of TiO NP concentration and ionic strength/valence, were investigated using self-assembled monolayers (SAMs) with five different ending chemical functionalities (-CH, -OH, -COOH, -NH, and -CONH). The fastest deposition and maximum deposition mass were observed on -NH, followed by -COOH, -CONH, -CH, and -OH, showing that contact angle and zeta potential of surfaces were not good indicators for predicting the deposition. Specific interactions, for instance, between -COOH and -CONH and TiO, significantly affected their deposition. Deposition rate increased linearly with TiO NP concentration; however, specific deposition rate was dependent on the type of SAMs. The increase of monovalent (Na) and divalent (Ca) led to different changes in deposition rates for the SAMs due to different functionalities. Results also showed that favorable SAM (e.g., -NH) had lowered release of NPs compared to unfavorable surface (e.g., -OH). The obtained deposition and release behaviors will support more accurate prediction of the environmental fate of nanoparticles.