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Herein, the electronic structures and absorption spectra of a series of transition-metal-substituted polyoxometalates (TMSPs) were systematically investigated to screen promising candidates for the POM/TiO2 nanocomposite film used in DSSCs using… Click to show full abstract
Herein, the electronic structures and absorption spectra of a series of transition-metal-substituted polyoxometalates (TMSPs) were systematically investigated to screen promising candidates for the POM/TiO2 nanocomposite film used in DSSCs using the density functional theory (DFT) and time-dependent DFT (TD-DFT) methods.
Keywords:
substituted poms;
transition metal;
poms modify;
metal substituted;
dft
Journal Title: Inorganic Chemistry Frontiers
Year Published: 2019
Link to full text (if available)
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Journal Title: Inorganic Chemistry Frontiers
Year Published: 2019
Link to full text (if available)
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recommendations!