Lattice engineered nanoscale Fe 0 for selective reductions

Achieving rapid and highly selective chemical reductions using Fe 0 nanomaterials for water treatment remains challenging. Here lattice Ni and S were impregnated into crystalline Fe 0 with controllable lattice strain and S speciation via a one-step procedure, overcoming the reactivity–selectivity–stability trade-off. Chemoselective dehalogenation and hydrogenation at a remarkable activity (up to 956-fold higher than for unmodified Fe 0 ) outcompete H 2 evolution for >90% electrons from lattice-doped Fe 0 , also offering high stability in air and water. This mainly results from the modulations of materials’ lattice strain (contracted or tensile) and S speciation (FeS or FeS 2 ) by lattice Ni and the promotions of electron transfer and hydrophobicity by lattice S. This work demonstrates the ability to control the local microenvironment in the Fe 0 crystalline structure via lattice engineering, and the tunable geometric and electronic properties constitute a promising platform for the rational design of metallic nanomaterials with robust performance in selective reductions.