Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5458378 | Journal of Alloys and Compounds | 2017 | 6 Pages |
â¢A new layered compound of K2Cu2GeS4 were successfully synthesized via molten thiourea reactive flux method.â¢The crystal structure is composed of defective anti-PbO like [Cu2GeS4]2- layers which are interleaved by K+ cations.â¢This compound is a semiconductor with a band gap of 2.3 eV.â¢This compound is an indirect band gap semiconductor with interesting intermediate band consisting of Ge 4s and S 3p.
A new compound K2Cu2GeS4 was successfully synthesized by using molten thiourea reactive flux method. The structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system of space group P2/c with a unit cell of a = 7.063 (3) à , b = 5.435 (3) à , c = 11.037 (6) à and β = 112.83 (3)°. The crystal structure of K2Cu2GeS4 is composed of defective anti-PbO like [Cu2GeS4]2â layers which are interleaved by K+ cations. This compound is a semiconductor with an indirect band gap of 2.3 (1) eV, which is derived from optical absorption spectrum. First principles calculations reveal that K2Cu2GeS4 has interesting intermediate bands consisting of Ge-4s and S-3p orbitals. This new semiconductor is potentially suitable for solar photocatalytic and photoelectric applications.