Abstract
High-resolution transmission electron microscopy has been used to observe the host-layer restacking processin situduring HgxTiS2(1.24≥x≥0.00) deintercalation to better understand the role of elastic strain in reaction dynamics and phase formation for this low-valent system (Hgδ+,δ⪡1). Hg forms novel incommensurate one-dimensional guest chains that occupy channels between the host layers. These channels undergo trigonal prismatic (TP)-to-distorted trigonal antiprismatic (DTAP) coordination restacking during deintercalation. Initially, a small metastable TP-coordinated, empty-gallery region forms. This region usually undergoes rapid restacking to octahedral coordination (1T-TiS2), which induces an intragallery TP-to-DTAP HgxTiS2phase transition to minimize elastic host-layer strain. Occasionally, TP empty-gallery regions become too large to allow coherent gallery restacking, resulting in host-layer fault/crack formation. TP and DTAP intercalate lamella can readily form coherent lamellar intergrowths, resulting in lamellar mixed-phase regions forming during deintercalation.
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