Lattice engineered nanoscale Fe0 for selective reductions

Achieving rapid and highly selective chemical reductions using Fe0 nanomaterials for water treatment remains challenging. Here lattice Ni and S were impregnated into crystalline Fe0 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 Fe0) outcompete H2 evolution for >90% electrons from lattice-doped Fe0, 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 FeS2) 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 Fe0 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. Fe0-enabled nanotechnologies for the reduction of refractory organic contaminants have the limitations of poor selectivity and low stability during water treatment. A lattice doping technique based on Lewis acid–base chemistry to incorporate lattice Ni and S into crystalline Fe0 can achieve rapid and highly selective chemical reductions.