The suitable band structure is vital for perovskite solar cells, which greatly affect the high photoelectric conversion efficiency. Cation substitution is an effective approach to tune the electric structure, carrier concentration, and optical absorption of hybrid lead iodine perovskites. In this work, the electronic structures and optical properties of cation (Bi, Sn, and TI) doped tetragonal formamidinium lead iodine CH(NH)PbI (FAPbI) are studied by first-principles calculations.
View Article and Find Full Text PDFThe electronic structures and photocatalytic properties of bismuth oxyhalide bilayers (BiOX1/BiOX2, X1 and X2 are Cl, Br, I) are studied by density functional theory. Briefly, their compositionally tunable bandgaps range from 1.85 to 3.
View Article and Find Full Text PDFBeing able to implement effective entanglement distribution in noisy environments is a key step towards practical quantum communication, and long-term efforts have been made on the development of it. Recently, it has been found that the null-result weak measurement (NRWM) can be used to enhance probabilistically the entanglement of a single copy of amplitude-damped entangled state. This paper investigates remote distributions of bipartite and multipartite entangled states in the amplitudedamping environment by combining NRWMs and entanglement distillation protocols (EDPs).
View Article and Find Full Text PDFThree-dimensional (3D) hybrid layered materials receive a lot of attention because of their outstanding intrinsic properties and wide applications. In this work, the stability and electronic structure of three-dimensional graphene-MoS2 (3 DGM) hybrid structures are examined based on first-principle calculations. The results reveal that the 3 DGMs can easily self-assembled by graphene nanosheet and zigzag MoS2 nanoribbons, and they are thermodynamically stable at room temperature.
View Article and Find Full Text PDFThe first-principles spin polarization method is used to investigate the magnetic properties of graphite boron nitride (g-BN) sheet induced by Fe doping. We find that a nitrogen or boron atom substituted by Fe can induce a magnetic moment. From standard Mulliken population analysis, we also find that the magnetic moment is mainly dominated by Fe 3d states.
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