Room-temperature quasi-catalytic hydrogen generation from waste and water

Abstract

A solvation-driven catalyst-free H₂ generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H₂ yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H₂ based on molecular dynamics simulations. Theoretical calculations clarify that OH⁻in situ generated from H₂O enabled by solvation is favorable for activating the Si–H species of hydrosilane, and the in situ formed Si–OH interacts more effectively with the adjacent remaining Si–H, both contributing to the overall enhanced H₂ generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H₂ production processes, especially in ozone layer depletion and abiotic depletion resources – fossil fuels. This protocol realizes the potential of efficiently producing H₂ from waste and water, and opens a new avenue to alleviate petroleum consumption.