Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal–Organic Framework

• DOI: 10.1021/acsami.5b07228
• Publication Date: 2015-09-28T21:40:21Z
• Authors: Muhammad Usman; Shruti Mendiratta; Sainbileg Batjargal; Golam Haider; Michitoshi Hayashi; Narsinga Rao Gade; Jenq-Wei Chen; Yang-Fang Chen; Kuang-Lieh Lu
• Keywords: 02 engineering and technology; 0210 nano-technology; 7. Clean energy

The self-assembly of a three-dimensional strontium-based metal–organic framework [Sr(Hbtc)(H2O)]n (1) was achieved through the reaction Sr(NO3)2 with 1,2,4-benzenetricarboxylic acid (1,2,4-H3btc) ligand under hydrothermal conditions. This Sr-based exhibits remarkable semiconducting behavior, as evidenced by theoretical calculations and experimental measurements. Temperature-dependent DC conductivity, near-room-temperature AC diffuse reflection spectra, photoluminescence spectra provide strong proof that compound 1 shows band gap 2.3 eV, which is comparable to for other commonly available materials (e.g., CdSe, CdTe, ZnTe, GaP, etc.). optimized molecular structure electronic properties (density states energy) were calculated using density functional theory, results are consistent findings. first report on MOF, will pave way further studies in MOFs interesting potential applications optoelectronic devices.