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Titanium dioxide (TiO₂) is a widely used photocatalyst that can oxidize motor vehicle exhaust, for example, carbon monoxide (CO), nitrogen oxides (NO_x), hydrocarbons, and sulfur dioxide, under the irradiation of sunlight. It has been reported that nano-scale TiO₂ particles can be effectively used to modify the concrete-asphalt pavement, and make it as a photocatalytic pavement. However, the pure TiO₂ additive limits its absorption spectrum to the ultraviolet region, which only occupies a small portion of sunlight irradiance. To increase the utilization of the full spectrum of sunlight, it has been demonstrated that doping TiO₂ with substances such as Carbon (C), Nitrogen (N), or metal can reduce the band-gap and extend the threshold of the absorption spectrum to the visible light region. Therefore, doped-TiO₂ has a better photocatalytic performance under sunlight irradiation. This paper conducted computational …