Titanium dioxide (TiO2) is one promising material that meets the requirements of photocatalysts. This research studies the effect of Zn and N doping on the geometric and electronic structure of anatase TiO2. To determine the structure and process of photocatalytic performance, density functional theory (DFT) calculations are used with the generalized gradient approximation (GGA) approach with Perdew-Burke-Ernzerhof (PBEsol) parameterization. The calculation of the electronic structure used Hubbard U parameters. After optimization, the volume distortion of Zn doping was 1.154 Å, doping N 1.352 Å and Zn-N co-doping 1.884 Å. Based on these data, the presence of doping can affect structural changes. The calculation of the electronic structure yields a pure TiO2 bandgap of 3.18 eV. Then there is narrowing of the bandgap caused by dopants. bandgap for Zn doping 3.9 eV, N doping 3.78 eV and Zn-N co-doping 3.74 eV. The introduction of a new doped electronic structure not only causes a narrowing of the band gap but can also inhibit the recombination of electron-hole pairs, significantly increasing the photocatalytic activity of TiO2 in the visible light region.