The　catalytic　properties　of　CuCr2O4　with　the　cubic　normal　spinel-type　structure　were　discussed　by　means　of　studying　CO　adsorption　on　the　CuCr2O4　(100)　surface　in　the　framework　of　density　functional　theory.　The　results　of　geometry　optimization　show　that　CO　prefers　to　adsorb　at　a　Cu　site　with　the　adsorption　energy　of　133.2　kJ/mol.　The　adsorptions　at　all　sites　lead　to　a　decrease　in　C-O　stretching　frequency,　an　increase　in　C-O　bond　length　and　a　net　positive　Mulliken　charge　for　the　CO　molecule.　Population　analysis　indicates　that　the　charges　transfer　from　the　CO　molecule　to　substrate.　The　density　of　states　for　CO　molecule　before　and　after　adsorption　are　also　computed　to　discuss　the　bonding　mechanism　of　CO.　©2007　Chinese　Physical　Society.