Explorations of new second harmonic generation materials in Ag^+-Hg^2+/Bi^3+-selenites systems afforded three new silver selenium oxides, namely, Ag4 Hg(SeO3)2(SeO4)(1), Ag2Bi2(SeO3)3(SeO4)(2) and Ag5 Bi(SeO3)4(3). Th...Explorations of new second harmonic generation materials in Ag^+-Hg^2+/Bi^3+-selenites systems afforded three new silver selenium oxides, namely, Ag4 Hg(SeO3)2(SeO4)(1), Ag2Bi2(SeO3)3(SeO4)(2) and Ag5 Bi(SeO3)4(3). They exhibit flexible crystal chemistry. Compounds 1 and 2 are mixed valence selenium oxides containing Se(IV) and Se(VI) cations simultaneously. Compounds 1 and 3 exhibit a 3 D open framework with 4-, 6-and 8-member polyhedral ring tunnels along a, b and c axes. Compound 1 crystallized in a polar space group and could display a subtle frequency doubling efficiency about 35% of the commercial KH2PO4(KDP). UV-vis-NIR spectra reveal that compounds 1–3 are wide-band semiconductors with the optical bandgaps of 3.11, 3.65, 3.58 e V respectively. Theoretical calculations disclose that compounds2 and 3 are indirect band gap structures and their bandgaps are determined by Ag, Bi, Se and O atoms together.展开更多
基金supported by the National Natural Science Foundation of China (21773244 and 21875248)the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB20000000)the Natural Science Foundation of Fujian Province (2018J01025)
文摘Explorations of new second harmonic generation materials in Ag^+-Hg^2+/Bi^3+-selenites systems afforded three new silver selenium oxides, namely, Ag4 Hg(SeO3)2(SeO4)(1), Ag2Bi2(SeO3)3(SeO4)(2) and Ag5 Bi(SeO3)4(3). They exhibit flexible crystal chemistry. Compounds 1 and 2 are mixed valence selenium oxides containing Se(IV) and Se(VI) cations simultaneously. Compounds 1 and 3 exhibit a 3 D open framework with 4-, 6-and 8-member polyhedral ring tunnels along a, b and c axes. Compound 1 crystallized in a polar space group and could display a subtle frequency doubling efficiency about 35% of the commercial KH2PO4(KDP). UV-vis-NIR spectra reveal that compounds 1–3 are wide-band semiconductors with the optical bandgaps of 3.11, 3.65, 3.58 e V respectively. Theoretical calculations disclose that compounds2 and 3 are indirect band gap structures and their bandgaps are determined by Ag, Bi, Se and O atoms together.
