Although the immobilization of oligonucleotides (nucleic acid) on mineral surfaces is at basis different biotechnological applications, an atomistic understanding interaction nucleic acid components with titanium dioxide has not yet been achieved. Here, adsorption phosphate anion, four DNA bases (adenine, guanine, thymine, and cytosine) some entire nucleotides dinucleotides TiO2 anatase (1 0 1)...