Publications by authors named "Huaibao Tang"

In the paper, we report that the hydrides LaMnAsO1-xHcan serve as a switchable half-metal electride which combines the dual properties of half metals and electrides. Using density functional theory calculations, it is found that this hydride compounds exhibit a novel magnetic structure in which magnetic electrides arising from the excess electrons induced by the H dopants coexist with local-moment antiferromagnetism of the Mn spin lattice. While the reported sizable negative magnetoresistance and ferromagnetism are merely contributed by the spin polarization of excess electrons, this material mimics the behavior of a switchable half-metal electride because the completely spin polarization of excess electrons is easily achieved by controlling the concentration of conductive electrons or H dopants.

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Due to their almost zero relative hydrogen atom adsorption-free energy, MoS-based materials have received substantial study. However, their poor electronic conductivity and limited number of catalytic active sites hinder their widespread use in hydrogen evolution reactions. On the other hand, metal clusters offer numerous active sites.

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Here, we report zinc sulfide quantum dots, ZnS(QDs), moored on N-doped functionalized multiwall carbon nanotubes (MWCNTs) wrapped with reduced graphene oxide (rGO). The MWCNTs have a tangled network, a particular surface area, and a distinctive hollow structure that may be suitable for use as a counter electrode (CE) material. A ZnS@N.

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Magnetism in the two-dimensional limit has become an intriguing topic for exploring new physical phenomena and potential applications. Especially, the two-dimensional magnetism is often associated with novel intrinsic spin fluctuations and versatile electronic structures, which provides vast opportunities in 2D material research. However, it is still challenging to verify candidate materials hosting two-dimensional magnetism, since the prototype systems have to be realized by using mechanical exfoliation or atomic layer deposition.

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The porous structure and excellent specific surface area are superior for use as a counter electrode (CE) material. In addition, N-doped graphene possesses a remarkable electron-transfer pathway and many active sites. Therefore, a novel idea is to wrap uniform flower-like mesoporous FeO (FeOUFM) in an N-doped graphene (N-RGO) network structure to enhance the power conversion efficiency (PCE).

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Excellent corrosion resistance is crucial for photovoltaic devices to acquire high and stable performance under high corrosive complicated environments. Creative inspiration comes from sandwich construction, whereby Fe3O4 nanoparticles were anchored onto hollow core-shell carbon mesoporous microspheres and wrapped by N-graphene nanosheets (HCCMS/Fe3O4@N-RGO) to obtain integrated high corrosive resistance and stability. The as-prepared multiple composite material possesses outstanding performance as a result of structure optimization, performance improvement, and interface synergy.

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The origin of the photoactivity in graphitic carbon nitride (g-C3N4) and the strategies for improving its photocatalytic efficiency were systematically investigated using first-principles computations. We found that g-C3N4 composed of tri-s-triazine units (g-CN1) is preferable in photocatalysis, owing to its visible-light absorption and appropriate band edge potentials. Despite the benefit of nanocrystallization of g-CN1, excessively minimized and passivated g-CN1 nanosheets (g-CN1NSs) should be inhibited, due to the intensely broadened band gaps in these structures.

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