A new diphosphate Li2Na2P2O7: synthesis, crystal structure, electronic structure and luminescent properties

Publication date: Available online 15 September 2018Source: Journal of Solid State ChemistryAuthor(s): Dan Zhao, Ya-Li Xue, Ji Zhao, Bao-Fu Hu, Xia Xin, Yun-Chang Fan, Bao-Zhong LiuAbstractFor the first time, a mixed-alkali diphosphate, Li2Na2P2O7, has been successfully obtained by high-temperature solution growth (HTSG) method. Single crystal X-ray diffraction analysis reveals that it contains anionic [Li2P2O7]∞ network and 1D [Na]∞ infinite chains, which are both running along the c-axis. Band structure calculations by density functional theory (DFT) method indicate that Li2Na2P2O7 has an indirect band gap of about 4.88 eV. Moreover, 1 mol% Eu3+ doped Li2Na2P2O7 phosphor was synthesized and its photoluminescence properties were investigated. Under near ultraviolet (NUV) excitation (394 nm), Li2Na2P2O7:0.01Eu3+ phosphor exhibits a series of emission peaks corresponding to the 5D0→7FJ (J = 0, 1, 2, 3, 4) transitions of Eu3+ ion with the CIE chromaticity coordinates of (0.599, 0.375).Graphical abstractThis paper affords a novel lithium sodium diphosphate Li2Na2P2O7 via high temperature flux method. The wide band gap of about 4.88 eV makes it suitable to be used as a luminescent host matrix. It can emit intense red light after doping with Eu3+ ions.

Source: Journal of Solid State Chemistry - September 15, 2018 Category: Chemistry Source Type: research