Showing papers in "Chemical Physics Letters in 2008"

TL;DR: In this paper, the authors present a review of recent work on the origin of the concept of enhanced multiple electron-hole pair (i.e. exciton) production in semiconductor quantum dots (QDs).

TL;DR: In this paper, a rigorous derivation of Young, Cassie-Baxter and Wenzel equations carried out in the framework of the unified thermodynamic approach is presented, where Wetting of rough surfaces controlled with external stimuli is treated.

TL;DR: In this article, the photo-induced interfacial charge transfer from a semiconductor to an adsorbed molecular species and the catalytic multi-electron reduction of oxygen by Cu(I) ions were investigated.

TL;DR: In this paper, the enhancement of CO sensitivity in the Al doped graphene is determined by a large electrical conductivity change after adsorption, where CO absorption leads to increase of electrical conductivities via introducing large amount of shallow acceptor states.

TL;DR: In this paper, the FFT Raman and IR spectra of the benzaldehyde phenylhydrazone (BPH) were analyzed with the help of B3LYP density functional theory.

TL;DR: The structure of liquid water is presently under intense debate as discussed by the authors, and the connection between X-ray spectroscopy and the structure of the hydrogen bonding network is discussed in detail.

TL;DR: This work reports cytotoxicity of gold nanomaterial of different size and shape using MTT test, absorption spectroscopy and TEM, which indicates that spherical gold nanoparticles with different sizes are highly toxic to human skin cells.

TL;DR: In this paper, a detailed model based on density functional theory calculations is presented of the charged solid-electrolyte interface, where the interface capacitance is well described and how the work function can be related directly to the potential scale of the normal hydrogen electrode.

TL;DR: In this article, the structural organization in selected room temperature ionic liquids, namely (a) butyl-, (b) hexyl- and (c) octyl-3-methylimidazolium hexafluorophosphate, is investigated by means of X-ray diffraction.

TL;DR: In this article, a quadrupolar spin-echo experiment using adiabatic pulses was extended to a QCPMG-like sequence exhibiting the same uniform, broadband excitation as the echo experiment but with the advantage of a significant increase in S/N.

TL;DR: In this paper, the structural and energy properties of normal hydrogen bonds X−H···Y as well as some exceptions to the normal, including proton-shared and ion-pair bonds are discussed.

TL;DR: In this paper, the dielectric constants of water and heavy water were determined from 270 to 362 K and decomposed into four components: slow relaxation, fast relaxation, intermolecular stretching vibration, and intermolescular libration.

TL;DR: In this paper, a new topological approach for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes was introduced, and it was shown that the ratio of 1,3-interactions with respect to the total number of 1 2,2-, 1, 3- and 1 4 interactions plays a fundamental stabilizing role in the energetic of alkanes.

TL;DR: In this paper, a statistical evaluation of aggregate geometries combined with finite difference time domain modeling of the infrared hot spots characteristic of the constituent structures was performed for surface enhanced infrared absorption (SEIRA) spectroscopy.

TL;DR: In this paper, the optical properties of gold nanorings of different sizes and cross-sections were analyzed and it was shown that for light polarized parallel to the ring, the optical spectrum can depend sensitively on the angle of incidence.

TL;DR: In this article, the experimental control of silver nanoparticle shape in citric acid solution is rationalized by ab initio calculations, and the approximate threefold symmetry of the acid matches that of Ag(1 1 1 1) and results in four silver-oxygen bonds.

TL;DR: In this article, the authors report results from resonant UV second harmonic generation (SHG) experiments that are best modeled by surface depletion of hydroxide and establish at most a weak surface adsorption.

TL;DR: In this article, a multiphase fluid dynamics simulation is used to interrogate droplet-surface collision behavior and resultant progeny droplet formation on an ambient surface subject to the conditions typically associated with DESI.

TL;DR: The first clear experimental evidence of the formation of water molecules under conditions mimicking those found in cold interstellar molecular clouds was reported in this article. But the results of the experiments were limited to 10 K.

TL;DR: In this article, two-step water splitting into H 2 and O 2 under visible light irradiation is examined combining Pt-ATaO 2 N (A = Ca, Sr, Ba) as a H 2 evolution photocatalyst and Pt-WO 3 N (WO3 N) as an O 2 evolution O 2 photocatalyzer by IO 3 / I - shuttle redox-mediator.

TL;DR: In this article, the level set equation is solved in a Lagrangian frame using particles that carry the level-set information and a consistent remeshing procedure is used for the regularization of the particle locations when the particle map gets distorted by the advection field.

TL;DR: In this article, different nanostructured manganese oxides have been synthesized by a simple precipitation technique using KMnO 4 and different alcohols, and the synthesized oxides showed excellent performance as a pseudocapacitor electrode in a neutral electrolyte.

TL;DR: In this article, a novel method to characterize hydration states from dielectric responses of solutions in terahertz (THz) frequency region was proposed, which can be evaluated quantitatively from a complex Dielectric function derived from a theory with a local field correction.

TL;DR: In this article, the photoluminescence efficiency of fac-tris(2-phenylpyridine)iridium (Ir(ppy)3) and derivatives of it in solution and in doped solid-state films and estimated their radiative and nonradiative decay rates.

TL;DR: The interplay between two important noncovalent interactions involving aromatic rings is studied and it is demonstrated that synergistic effects are present in complexes where anion‐π and hydrogen bonding interactions coexist.

TL;DR: In this paper, a series of Au-Pd nanoparticles (NPs) were prepared using mixed n-dodecylamine/tetraoctylphosphonium bromide ligands and characterized with UV-Vis absorption, TEM, X-ray absorption fine structure (XAFS), XAFS simulations, XPS and catalytic hydrogenation reactions.

TL;DR: In this paper, the effect of surfactant in dispersing single-walled carbon nanotubes (SWCNTs) to form conducting films was examined using UV-vis-NIR absorption spectroscopy.

TL;DR: In this paper, an orbital-invariant explicitly correlated coupled-cluster method was proposed to determine the contribution from the geminal pair functions by the known first-order electron coalescence conditions.

TL;DR: In this paper, the additional thermal energy was suggested to enhance the reaction between methane and carbon dioxide by promoting the thermally activation steps in reaction mechanism, such as desorption of the products or electron migration from the bulk to the surface of Ga 2 O 3.

TL;DR: In this paper, a basic photovoltaic model is developed to explain the electron transfer via surface states at the metal/organic interface, which becomes charged under illumination, unpinning the band and decreasing the depletion layer at the electron extraction contact.