▎ 摘　　要

Solid-state gas sensors are renowned for their high sensitivity, which in combination with low production costs and miniature sizes have made them universally and widely used in many applications. Recent computational studies have shown that the detectable range and sensitivity of graphene can be widened and enhanced substantially through either doping technology or surface engineering. A principle of the enhancement of CO adsorption was developed theoretically by using density functional theory through decorating Ti on graphene. It is found that the Ti decorated graphene (Ti/graphene) has strong chemisorption of CO molecule, where CO onto intrinsic graphene remains weak physisorption. Since tiny amount of O-2 leads to oxidation of Ti/graphene into TiO2/graphene system, TiO2/graphene system is also examined. The results show that both systems have high sensitivity for CO molecule detection due to large electrical conductivity change. Therefore, this newly developed Ti/graphene would be an excellent candidate for sensing CO gas.