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Permanent URI for this collectionhttps://hdl.handle.net/20.500.14288/6

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Department: search.filters.department.Department of PhysicsSubject: search.filters.subject.Physical chemistry

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Now showing 1 - 4 of 4
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    PublicationOpen Access
    Development of highly luminescent and cytocompatible near-IR-emitting aqueous Ag2S quantum dots
    (Royal Society of Chemistry (RSC), 2012) Çizmeciyan, M. Natali; Erdem, Rengin; Özen, Can; Kurt, Adnan; N/A; Department of Physics; Department of Chemistry; Hocaoğlu, İbrahim; Sennaroğlu, Alphan; Acar, Havva Funda Yağcı; PhD Student; Faculty Member; Department of Physics; Department of Chemistry; Graduate School of Sciences and Engineering; College of Sciences; N/A; 23851; 178902
    Colloidally stable and highly luminescent near-IR emitting Ag2S quantum dots (NIRQDs) were prepared by a very simple aqueous method using 2-mercaptopropionic acid (2MPA) as a coating. Emission of Ag2S-2MPA NIRQDs can be tuned between 780 and 950 nm. These NIRQDs have photoluminescence quantum yields (PLQY) around 7–39% and exhibit excellent cytocompatibility even at 600 mg mL 1 in NIH/3T3 cells. With such improved properties, Ag2S-2MPA NIRQDs have a great potential in practical bio-applications.
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    PublicationOpen Access
    Modification of the surface plasmon enhanced optical forces on metal nanorod pairs by axial rotation and by dielectric intralayer
    (Elsevier, 2014) Department of Physics; Yalçın, Aybike Ural; Güven, Kaan; Müstecaplıoğlu, Özgür Esat; Faculty Member; Faculty Member; Department of Physics; College of Sciences; N/A; 52290; 1674
    We investigate numerically the effect of axial rotation and the presence of a dielectric intralayer on the spectral behavior of the optical force on a gold nanorod pair. The frequency spectrum of the optical force is obtained through the Maxwell stress tensor formulation and the full vectorial solution of electromagnetic waves. The common and the relative forces, which are defined through the optical force acting on each nanorod, are computed for different axial rotations and for different permittivity and thickness of the dielectric intralayer. We found that both the misalignment and the dielectric intralayer can be utilized to tailor the magnitude and direction of the relative optical force, providing a tunable attractive or repulsive response between the nanorods. (C) 2014 Elsevier B.V. All rights reserved.
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    PublicationOpen Access
    Correcting for electrostatic cutoffs in free energy simulations: toward consistency between simulations with different cutoffs
    (American Institute of Physics (AIP) Publishing, 1998) McCammon, J. Andrew; Department of Physics; Reşat, Haluk; Faculty Member; Department of Physics; College of Sciences
    The use of electrostatic cutoffs in calculations of free energy differences by molecular simulations introduces errors. Even though both solute-solvent and solvent-solvent cutoffs are known to create discrepancies, past efforts have mostly been directed toward correcting for the solute-solvent cutoffs. In this work, an approach based on the generalized reaction field formalism is developed to correct for the solvent-solvent cutoff errors as well. It is shown using a series of simulations that when the cutoff lengths are significantly smaller than the half unit cell size, and the solute-solvent cutoff is not much larger than the solvent-solvent cutoff, the new algorithm is able to yield better agreement among simulations employing different truncation lengths.
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    PublicationOpen Access
    Correcting for solvent-solvent electrostatic cutoffs considerably improves the ion-pair potential of mean force
    (American Institute of Physics (AIP) Publishing, 1999) Department of Physics; Reşat, Haluk; Faculty Member; Department of Physics; College of Sciences
    A recently developed algorithm based on the continuum treatment of the solvent molecules beyond the electrostatic cutoff sphere is applied to the potential of mean force results between sodium and chloride ions to study the effects of the solute-solvent and solvent-solvent cutoff errors. The results show that although the solute-solvent correction improves the thermodynamic results slightly, physically realistic results are obtained only when the solvent-solvent correction is applied. This further supports past findings that proper treatment of solvent-solvent interactions is as important as that of the solute interactions, and should not be ignored.