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.
