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Synthesis, Characterization, and Applications of Visible Light Active Metal-Organic Frameworks

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MOFs are a class of porous crystalline materials whose unique properties have led to applicability in several fields ranging from gas adsorption to drug delivery. Despite their high potential, MOFs are usually found as fine powders, a property that can lim ...

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Growth and investigation of Argon thin films adsorbed on graphite by means of Ultrafast Electron Diffraction

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Starting from our big universe to the microscopic world, phase transitions play an important role in nature. Just after the Big Bang our universe experienced multiple phase transitions, from high-temperature plasma to the matter we know today.Phase transit ...

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Machine-learning the electronic density of states: electronic properties without quantum mechanics

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The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

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Computational studies for the description of electronic and optical properties for photocatalysis in Metal Organic Frameworks

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Metal-organic frameworks(MOFs) are promising materials for photocatalytic applications. MOFs modular and porosity structure provides a platform to assemble photo-active and catalytic-sites building block units that can offer unique photo-physics. This feat ...

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Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air-Water Interface

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Two-dimensional covalent organic frameworks (2D COFs) have attracted attention as versatile active materials in many applications. Recent advances have demonstrated the synthesis of monolayer 2D COF via an air-water interface. However, the interfacial 2D p ...

AMER CHEMICAL SOC2021

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The quest for developing materials that provide a perfect trade-off between factors such as enzyme-like response, stability, and low cost has been a long-standing challenge in the field of biosensing. Metal-organic frameworks (MOFs) and their composites ha ...

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Catalytic effects of photogenerated Fe(II) on the ligand-controlled dissolution of Iron(hydr)oxides by EDTA and DFOB

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Low bioavailability of iron due to poor solubility of iron(hydr)oxides limits the growth of microorganisms and plants in soils and aquatic environments. Previous studies described accelerated dissolution of iron(hydr)oxides under continuous illumination, b ...

PERGAMON-ELSEVIER SCIENCE LTD2021

The search of novel materials using in-silico high-throughput screening is emerging as a fundamental step in the pipeline of materials discovery, but its low yields in terms of synthesisable structures limit its effectiveness. In order to isolate configura ...

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Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent stru ...

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During the last decades, intensive efforts have been applied to tackle the enormous emissions of CO2 into atmosphere. These efforts include not only developing efficient carbon capture techniques, but also the introduction of new ways to transform the capt ...

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