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Crystal structure and electrical resistance property of Rb0.21(H2O) y WS2.

Yuanlv MaoYuqiang FangDong WangKejun BuSishun WangWei ZhaoFuqiang Huang
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
Rb0.21(H2O) y WS2, rubidium hydrate di-thio-tungstate, is a new quasi two-dimensional sulfide. Its crystal structure consists of ordered WS2 layers, separated by disordered Rb+ ions and water mol-ecules. All atomic sites are located on mirror planes. The WS2 layers are composed of edge-sharing [WS6] octa-hedra and extend parallel to (001). The presence of structural water was revealed by thermogravimetry, but the position and exact amount could not be determined in the present study. The temperature dependence of the electrical resistance indicates that Rb0.21(H2O) y WS2 is semiconducting between 80-300 K.
Keyphrases
  • crystal structure
  • density functional theory
  • molecular dynamics
  • solar cells