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Synthesis, crystal structures and semiconducting properties of new hexacyanidometallates.
Qiao, Xianji; Qiu, Yi; Xin, Junjie; Chen, Da; Ma, Zili; Corkett, Alex J; Cai, Guohong; Cai, Guanqun; Qu, Shangqing; Wang, YuChao; Zhu, Zhenyu; Gao, Yiman; Wang, Zhigang; Dronskowski, Richard; Li, Guobao; Sun, Junliang.
Afiliación
  • Qiao X; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Qiu Y; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Xin J; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Chen D; Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Aachen 52056, Germany. drons@HAL9000.ac.rwth-aachen.de.
  • Ma Z; Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic, 7098 Liuxian Boulevard, Nanshan District, Shenzhen 518055, China.
  • Corkett AJ; Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, 230026 Hefei, Anhui, China.
  • Cai G; Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic, 7098 Liuxian Boulevard, Nanshan District, Shenzhen 518055, China.
  • Cai G; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Qu S; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Wang Y; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Zhu Z; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Gao Y; College of Chemistry and Life Science, Changchun University of Technology, Changchun 130012, China.
  • Wang Z; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Dronskowski R; College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China. junliang.sun@pku.edu.cn.
  • Li G; Hanon Advanced Technology Group Co., Ltd., HanYuJinGu Business Center, No.7000 Jingshi Road, Hi-Tech Development Zone, Jinan 250100, China.
  • Sun J; Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Aachen 52056, Germany. drons@HAL9000.ac.rwth-aachen.de.
Dalton Trans ; 52(13): 3971-3980, 2023 Mar 28.
Article en En | MEDLINE | ID: mdl-36880672
We describe the synthesis, crystal structure and semiconducting properties of a number of hexacyanidometallates with the formula A2[MFe(CN)6]·xH2O (A = Na, K; M = Mg, Ca, Sr and Ba). All crystal structures were studied via single-crystal or powder X-ray diffraction. The unexpectedly low-symmetric structures in these ferrocyanides are described and contrasted with analogous transition-metal compounds which have been reported to be strictly or nearly cubic. The amount of crystal water in the structure for powder samples was determined by the thermogravimetric analysis (TGA), supported by IR and Raman spectroscopy. Electronic-structure calculations of K2[MgFe(CN)6] and K2[CaFe(CN)6] are compared with experimental UV-Vis measurements. The large band gaps by advanced theory indicate that the smaller experimental band gaps are due to surface effects of impurity states. Mott-Schottky curves of K2[MgFe(CN)6], K2[CaFe(CN)6] and K2[BaFe(CN)6]·3H2O exhibit positive slopes, which characterizes these compounds as n-type semiconductors.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido