An experimental and theoretical exploration of the role of tri-element metal-nonmetal nanohybrids in photovoltaics

Inexpensive electrocatalysts with excellent catalytic activity as the counter electrodes (CEs) are crucial for the commercialization of solar cells. Herein, we report a unique rhombic dodecahedron framework of N-doped porous carbon loaded with 0.66 wt% Fe as a tri-element catalyst and its application as a CE in solar cells. Experimental and theoretical results reveal that the excellent catalytic activity is mainly attributed to the high ionic interaction between metal and nonmetal. A mesoporous structure can facilitate the penetration of the electrolyte and the involvement of internal active sites in the redox reaction. Consequently, solar cells constructed with tri-element metal-nonmetal nanohybrids provide an impressive power conversion efficiency of 8.06%, which is superior to that of Pt-based devices (7.93%). This is the highest efficiency reported for single Fe atom catalyst-based photovoltaics. The present work provides a new avenue for the exploration of earthabundant and efficient CE materials in photovoltaics.

Automated summary

This study presents a unique rhombic dodecahedron N-doped porous carbon framework loaded with 0.66 wt% Fe as a tri-element catalyst for solar cell counter electrodes, exhibiting excellent catalytic activity mainly attributed to high ionic interaction between metal and nonmetal as well as the mesoporous structure. Solar cells constructed with this tri-element metal-nonmetal nanohybrid catalyst achieve an impressive power conversion efficiency of 8.06%, surpassing Pt-based devices, marking the highest efficiency reported for single Fe atom catalyst-based photovoltaics and providing a new avenue for exploration of earth-abundant and efficient CE materials in photovoltaics.