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Unlike cation substitution, anion substitution in inorganic materials such as metal oxides and sulfides would be expected to bring about major changes in the electronic structure and properties. In order to explore this important aspect, we have carried out first‐principles DFT calculations to determine the effects of substitution of P and Cl on the properties of CdS and ZnS in hexagonal and cubic...
Zweimal Molybdän: Eine Monoschicht der metallischen Form von MoS2 (1T‐MoS2) und ein Nanokomposit aus einer anderen MoS2‐Form (2H‐MoS2) und hochnitriertem reduziertem Graphenoxid (NRGO; N‐Gehalt ca. 15 %) zusammen erwiesen sich bei der Erzeugung von H2 durch Bestrahlung mit sichtbarem Licht als äußerst effektiv.
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