Photonic crystal light trapping for photocatalysis

The Achilles heel of wide-band photocatalysts such as TiO₂ is the insufficient photogeneration in the visible range under sunlight. This has been a longstanding impediment to large-scale, real-world deployment of titania-based photocatalysis applications. Instead of traditional band engineering through heavy-doping, we suggest enhancing photocatalytic efficiency of lightly-doped TiO₂ using photonic crystal (PC) structures. This strongly increases solar photogeneration through novel wave-interference-based light trapping. Four photocatalyst structures - simple cubic woodpile (wdp), square lattice nanorod (nrPC), slanted conical-pore (scPore), and face-centered cubic inverse opal (invop) - are optimized and compared for light harvesting in the sub- and above-gap (282 to 550 nm) regions of weakly absorbing TiO₂, with the imaginary part of the dielectric constant 0.01 in the visible range. The optimized lattice constants for the first three, and opal center-to-center distance for invop, are ∼300 - 350 nm. For fixed PC thickness, the ranking of visible light harvesting capability is: scPore > wdp ∼ nrPC > invop. The scPore PC deposited on highly reflective substrate is ideal for photocatalysis given its combination of enhanced light trapping and superior charge transport.