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Articles 1 - 4 of 4
Full-Text Articles in Nanoscience and Nanotechnology
The Profound Photophysical Effects Of Organic Chromophore Connectivity And Coupling, David J. Walwark Jr
The Profound Photophysical Effects Of Organic Chromophore Connectivity And Coupling, David J. Walwark Jr
Nanoscience and Microsystems ETDs
Through-bond and through-space interactions between chromophores are shown to have wide-ranging effects on photophysical outcomes upon light absorption in organic molecules. In collapsed poly(3-hexylthiophene), through-space coupling creates hybrid chromophores that act as energy sinks for nearby excitons and favorable sites for molecular oxygen to dock. Upon excitation with visible light the highly-coupled chromophores react with the docked oxygen and subsequently do not quench nearby excitons as efficiently. In tetramer arrays of perylene diimide chromophores the central moiety through-bond connectivity is synthesized in two variants which exhibit vastly different single-molecule blinking behavior and theoretically-predicted electronic transition character. In the more-connected tetramer …
Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao
Radial Basis Densities And The Density Functional-Based Atom-In-Molecule: Designing Charge-Transfer Potentials, Godwin Amo-Kwao
Nanoscience and Microsystems ETDs
Classical potentials that are capable of describing charge transfer and charge polarization in complex systems are of central importance for classical atomistic simulation of biomolecules and materials. Current potentials—regardless of the system—do not generalize well, and, with the exception of highly-specialized empirical potentials tuned for specific systems, cannot describe chemical bond formation and breaking. The charge-transfer embedded atom method (CT-EAM), a formal, DFT-based extension to the original EAM for metals, has been developed to address these issues by modeling charge distortion and charge transfer in interacting systems using pseudoatom building blocks instead of the electron densities of isolated atoms. CT-EAM …
Modeling Multiphase Flow And Substrate Deformation In Nanoimprint Manufacturing Systems, Andrew Cochrane
Modeling Multiphase Flow And Substrate Deformation In Nanoimprint Manufacturing Systems, Andrew Cochrane
Nanoscience and Microsystems ETDs
Nanopatterns found in nature demonstrate that macroscopic properties of a surface are tied to its nano-scale structure. Tailoring the nanostructure allows those macroscopic surface properties to be engineered. However, a capability-gap in manufacturing technology inhibits mass-production of nanotechnologies based on simple, nanometer-scale surface patterns. This gap represents an opportunity for research and development of nanoimprint lithography (NIL) processes. NIL is a process for replicating patterns by imprinting a fluid layer with a solid, nano-patterned template, after which ultraviolet cure solidifies the fluid resulting in a nano-patterned surface. Although NIL has been demonstrated to replicate pattern features as small as 4 …
Ion Size Effects On The Properties Of Charge Regulating Electric Double Layers, Divya Jyoti Prakash
Ion Size Effects On The Properties Of Charge Regulating Electric Double Layers, Divya Jyoti Prakash
Nanoscience and Microsystems ETDs
The behavior of charged interfaces formed in various systems like colloidal solution, fuel cells, battery, electro-deposition, catalysis is governed by the properties of electrical double layer(EDL). Civilized model with charge regulation boundary condition determined by thermodynamic equilibrium at the interface has been used to model electrical double layer and shows that size of the solvent plays a critical role in characterizing the properties of EDL using classical density functional theory.This thesis investigates the impact of ion size in electrolyte solutions on the electrical double layer formed at the interface using a similar model. It is found that ion size greatly …