Search Results - "Forero‐Martinez, Nancy C."

Virtual Screening for Organic Solar Cells and Light Emitting Diodes by Forero‐Martinez, Nancy C., Lin, Kun‐Han, Kremer, Kurt, Andrienko, Denis

“…The field of organic semiconductors is multifaceted and the potentially suitable molecular compounds are very diverse. Representative examples include discotic…”
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Thermoresponsive Ionic Liquid/Water Mixtures: From Nanostructuring to Phase Separation by Forero-Martinez, Nancy C, Cortes-Huerto, Robinson, Benedetto, Antonio, Ballone, Pietro

“…The thermodynamics, structures, and applications of thermoresponsive systems, consisting primarily of water solutions of organic salts, are reviewed. The focus…”
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Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers by Iscen, Aysenur, Forero-Martinez, Nancy C., Valsson, Omar, Kremer, Kurt

“…Acrylic polymers, commonly used in paints, can degrade over time by several different chemical and physical mechanisms, depending on structure and exposure…”
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Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants by Iscen, Aysenur, Forero-Martinez, Nancy C, Valsson, Omar, Kremer, Kurt

“…Most of the artwork and cultural heritage objects are stored in museums under conditions that are difficult to monitor. While advanced technologies aim to…”
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Water Harvesting by Thermoresponsive Ionic Liquids: A Molecular Dynamics Study of the Water Absorption Kinetics and of the Role of Nanostructuring by Forero-Martinez, Nancy C., Cortes-Huerto, Robinson, Ward, Lainey, Ballone, Pietro

“…Ionic liquids (ILs) whose water solutions are thermoresponsive provide an appealing route to harvest water from the atmosphere at an energy cost that can be…”
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Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths by Forero-Martinez, Nancy C, Baumeier, Björn, Kremer, Kurt

“…Despite a vast body of the literature devoted to the use of phenylene polymers in the fabrication of graphene nanoribbons, the study of the physical properties…”
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First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interactions by Lechner, Christoph, Pannier, Baptiste, Baranek, Philippe, Forero-Martinez, Nancy C, Vach, Holger

“…Various properties of two polymorphs of carbon, highly oriented pyrolytic graphite (HOPG) and diamond, were investigated at the ab initio level using different…”
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Heating and melting of plasma-born hydrogenated silicon clusters by reactions with atomic hydrogen by Thi Le, Ha-Linh, Forero-Martinez, Nancy C., Vach, Holger

“…Ab initio molecular dynamics simulations have been carried out to investigate quantitatively “realistic” heating and melting processes of plasma‐born…”
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Hydrogen-induced healing of cluster-damaged silicon surfaces by Le, Ha-Linh Thi, Forero-Martinez, Nancy C., Vach, Holger

“…[Display omitted] •We demonstrate that H-atoms can be used to repair cluster-damaged silicon surfaces.•The surface healing is induced by reactions with H-atoms…”
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Self-Assembly in Silane/Hydrogen Plasmas: from Silicon Atoms to Aromatic Silicon Nanocrystals by Forero-Martinez, Nancy C., Le, Ha-Linh Thi, Vach, Holger

“…We theoretically predict that low pressure silane/hydrogen plasmas may present the ideal venue for the fabrication of a new nanostructured silicon material…”
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