We present an ab initio study on the structural and electronic distortions of modified graphene by creation of vacancies, inclusion of boron atoms, and the coexistence of both, by means of thermodynamics and band structure calculations. In the case of coexistence of boron atoms and vacancy, the modified graphene presents spin polarization only when B atoms locate far from vacancy. Thus, when a boron atom fills single-and di-vacancies, it suppresses the spin polarization of the charge density. In particular when B atoms fill a

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Here, we intend to review those patents related with the technology of dye sensitized solar cells. In particular we discuss patents and papers that enable metal oxide layer to be more controllable and feasible for applications, and new and innovative dyes, sensitizers and electrolytes with promising features. Finally various methods were reviewed for fabricating semiconductor layers and complete DSSC devices focusing on the mass production of photovoltaic cells.

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In the present work, we report the enhancement of lithium-ion dissociation and transport in poly(acrylonitrile) host promoted by the addition of hydrogen titanate nanotube fillers for solid polymer electrolytes. We show experimental and theoretical evidence of lithium perchlorate dissociation due to the presence of the acidic hydrogen titanate nanotubes embedded in the polymer matrix. We performed confocal Raman microscopy analysis to reveal the presence of lithium perchlorate dissociation at the interface of polymer and nanotube fillers. The large affinity of perchlorate anions at the hydrogen titanate nanotube surface, as envisaged from the ab initio molecular dynamics simulations, could be responsible for the enhancement of more than 2 orders of magnitude in the lithium conductivity, reaching ∼4 × 10 −4 S•cm −1 for a certain amount of nanotube fillers addition.