Structural and Thermal Characterization of the Incorporation of Lithium into ZnO

Abstract

The process of the incorporation of lithium atoms into the binary oxide ZnO and the structure of the ternary phase Li2xZn1–xO have been investigated experimentally (by means of X‐ray single‐crystal and powder diffraction analyses, differential scanning calorimetry and thermogravimetry) and theoretically (electronic structure calculations with the program TB‐LMTO‐ASA, TB‐LMTO = tight‐binding linear muffin‐tin orbital). The formation of the disordered Li2xZn1–xO phase occurs under the action of two processes: the inclusion of additional lithium atoms at the 2a site (x = 0, y = 0, z = 0.124) and the the partial substitution of zinc atoms by lithium atoms at the 2b site (x = 1/3, y = 2/3, z = 0.379). At temperatures higher than 700 °C, the ternary phase begins to decompose.

Synthesis, characterization, and catalytic properties of the Li-doped ZnO

“…1). The process of incorporation of lithium into ZnO binary oxide and the structure of Li 2x Zn 12x O ternary phase were investigated by means of X-ray single-crystal and powder diffractions, differential scanning calorimetry, and thermogravimetry [10]. The formation of Li 2x Zn 12x O disordered phase occurs under the action of two simultaneous processes: the first is a partial substitution of zinc atoms by lithium in 2b site (x = 1/3, y = 2/3, z = 0.379) and the second is an inclusion of an additional lithium atom in 2a site (x = 0, y = 0, z = 0.124).…”

“…In [10], it is seen that the size of the unit cell of ions influences the reduction of mass of carbonizate and increase in the volume of volatile products. After decomposition of cereals, the structure of catalyst material does not change in the presence of Li 2x Zn 12x O (Fig.…”

“…The Li-, Na-, and K-doped ZnO nanoparticles were synthesized by the sol-gel method in a gelatin media by Yousefi et al [9]. The undoped and Li-doped ZnO crystallizes in the hexagonal symmetry with a wurtzite-like structure type [10]. ZnO doped with powders of Li and Ni was used as a transparent conductive oxide thin film and were prepared by the heat treatment of gels obtained from alcoholic Zn(CH 3 COO) 2 Á2H 2 O, LiNO 3 Á n H 2 O, and NiSO 4-6H 2 O solutions with (CH 3 CH 2 OH) 3 N as the chelating agent [11].…”