In　this　work,　the　interaction　between　anatase　TiO2(001)　surface　and　KOH　solution　is　studied　by　molecular　dynamics　simulations.　Most　of　K+　ions　are　shown　to　adsord　at　two　bidentate　sites,　between　two　bridging　oxygens　in　adjacent　rows　on　the　crystal　surface.　In　addition,　the　coordination　number　and　diffusion　coefficient　of　K+　are　decreased　due　to　its　adsorption　on　TiO2,　resulting　in　an　ordered　structure　in　the　interface.　Based　on　the　number　density　of　K+,　O2-and　H+,　the　interfacial　electrostatic　properties　are　analyzed.　In　order　to　obtain　the　effect　of　KOH　on　the　interface,　the　electrostatic　properties　of　H2O　in　solution　are　considered　and　compared　with　pure　water　system.　The　peaks　of　the　charge　density　and　the　electric　field　distribution　curves　of　KOH　solution　increase　and　the　convergence　of　its　potential　becomes　slow.　The　reason　is　that　potassium　ions　are　concentrated　on　the　interface　while　hydroxyl　ions　are　randomly　distributed　in　the　whole　system,　which　lead　to　relative　excess　of　anions　in　the　bulk.　©　2019,　Science　Press.　All　right　reserved.