Recyclable visible-light photocatalyst Fe₃O₄@TiO₂ with core-shell structure was prepared by a simple synthetic strategy using solvothermal crystallization of titanium precursor on preformed Fe₃O₄ nanopartiles. The photo-degradation reaction of neutral red aqueous solution was tested to evaluate the visible-light photocatalytic activity of the as prepared Fe₃O₄@TiO₂ nanoparticles, which show exc...

We used hybrid density-functional calculations to clarify the effect of substituting chromium for titanium (Cr(Ti)) on photocatalytic activities of Cr-doped SrTiO(3). A singly negative Cr(Ti)⁻, which is relevant to a lower oxidation state of Cr, is advantageous for the visible light absorption without forming electron trapping centers, while other charge states are inactive for the photocatalyt...

H3PMo12O40 molecules have been successfully encapsulated in the cavities of MIL-100(Fe) via a facile hydrothermal method (denoted as HPMo@MIL-100(Fe)). A series of characterization has corroborated the insertion of H3PMo12O40 within the cavities of MIL-100(Fe). The resulting HPMo@MIL-100(Fe) nanocomposites have exhibited much higher photoactivity than the original-MIL-100(Fe) toward the photoca...

The polyphenylene network, known as porous graphene, is one of the most important and widely studied two-dimensional materials. As a potential candidate for photocatalysis and photovoltaic energy generation, its application has been limited by the low photocatalytic activity in the visible-light region. State-of-the-art hybrid density functional theory investigations are presented to show that ...

We investigate the electronic coupling between a TiO2 nanowire and a natural dye sensitizer, using state-of-the-art time-dependent first-principles calculations. The model dye molecule, cyanidin, is deprotonated into the quinonoidal form upon adsorption on the wire surface. This results in its highest occupied molecular orbital (HOMO) being located in the middle of the TiO2 bandgap and its lowe...

in this study, for increasing absorption of the active layer in bulk hetero junction (bhj) organic solar cells (oscs) we used surface plasmon effects of metal nano particles (mnps). we embedded the mnps inside the active layer and studied the device structure. for shown the results we investigated the model of our structure with finite difference time domain (fdtd) numerical method and achieved...

Photocatalytic water splitting using sunlight is a promising technology capable of providing high energy yield without pollutant byproducts. Herein, we review various aspects of this technology including chemical reactions, physiochemical conditions and photocatalyst types such as metal oxides, sulfides, nitrides, nanocomposites, and doped materials followed by recent advances in computational ...

Optical characterization methods were applied to a series of microcrystalline silicon thin films and solar cells deposited by the very high frequency glow discharge technique. Bulk and surface light scattering effects were analyzed. A detailed theory for evaluation of the optical absorption coefficient a from transmittance, reflectance and absorptance ~with the help of constant photocurrent met...

The ability to strongly absorb light is central to solar energy conversion. We demonstrate here that the hybrid of monolayer ZrS2 and double-ring tubular B20 cluster exhibits dramatically enhanced light absorption in the entire visible spectrum. The unique near-gap electronic structure and large built-in potential at the interface will lead to the robust separation of photoexcited charge carrie...

Metals structured by nanocavities have recently been demonstrated to efficiently absorb light in a wide range of angles of incidence. It has been assumed that nanovoid plasmons are at the origin of the strong absorption. It is shown that it is possible to totally absorb incident light without plasmons. To avoid their excitation, a diffraction grating consisting of cylindrical cavities in a meta...