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In this study, we fabricated a unique core–shell structure of PB@MoS2 microcubes for the first time (PB stands for Prussian blue) and examined the microwave absorption performance in the frequency range of 2–18 GHz. The results showed the hybrid PB@MoS2 core–shell structure has an excellent microwave absorbing property. The minimum reflection loss value was found to be −42.83 dB with a thickness of 2.1 mm at 16.46 GHz and −42.06 dB at a frequency of 11.44 GHz with a thickness of 2.5 mm for the 40 wt % loading of PB@MoS2/wax. The effective absorbing bandwidth (less than −10 dB) could reach 7.31 GHz at 2.4 mm, 7.44 GHz (9.82–17.26 GHz) at a thickness of 2.5 mm, and 7.17 GHz at a thickness of 2.6 mm. The results indicated that the hybrids of PB@MoS2 core–shell microcubes were promising microwave-absorbing materials formed using an inexpensive and facile synthesis process, which can be an excellent candidate for efficient electromagnetic wave-absorbing applications.

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The effect of electronegative difference between nitrogen and oxygen on electronic properties of N-doped anatase TiO2 has been studied using first-principles calculations. The results indicate that the valence band maximum (VBM) shifts to high energy by 0.27 eV and the band gap states composed of N 2p, O 2p, and Ti 3d states are formed through the three states entering into the gap after N doping. The interactions of three states widen and delocalize the band gap states. The raised VBM and the wide band gap states can improve the visible light photocatalytic activity.