Showing papers in "Chemical Physics Letters in 2009"

TL;DR: In this paper, the thermal stability of graphite oxides to heat treatment under ambient argon gas was investigated using X-ray diffraction, and it was found that the interlayer distances dropped off in a stepwise manner by approximately 0.1nm in relation to the annealing time.

TL;DR: The gas sensing properties of graphene-like nano-sheets deposited on 36° YX lithium tantalate (LiTaO3) surface acoustic wave (SAW) transducers are reported in this paper.

TL;DR: RI-JK turns out to be more robust than RIJCOSX due to an overall positive error in the total energies, however, RIJcOSX outperforms RI- JK regarding speed-ups for the largest (gly) 8 chain and maintains comparable accuracy.

TL;DR: In this paper, the heat transfer enhancement of two water-based nanofluids was investigated under different pH values and different sodium dodecylbenzene sulfonate (SDBS) dispersant concentrations.

TL;DR: In this article, a review summarizes the knowledge gathered from various ultrafast time-resolved techniques addressing the two most discussed dark excited states (1B(u)(-) and S*).

TL;DR: In this article, the authors demonstrate two independent non-photochemical quenching sites in vivo which depend differently on the actions of PsbS and Zx, and the first site is formed in the functionally detached major light-harvesting complex of PS II and depends strictly on PSbS.

TL;DR: A mixture of graphene oxide and TiO2 nanocomposites was reduced photocatalytically by UV-irradiation and applied as interfacial layer between a fluorine doped tin oxide (FTO) layer and a nanocrystalline TiO 2 film.

TL;DR: In this article, the latest developments, challenges and applications of TERS are discussed, focusing on tip plasmonics, single molecule detection and nanoscale chemical analysis of biological samples.

TL;DR: In this article, different interaction mechanisms of impurities with graphene are introduced in terms of simple models and the requirements for impurity states in the vicinity of the Fermi level and compare graphene to normal metals and semiconductors.

TL;DR: In this paper, a generalized Poisson-Boltzmann approach that includes ionic potentials of mean force from simulation almost quantitatively matches experimental interfacial tension increments for 1 molar sodium halides and alkali chlorides and was shown to be transferable to interfacial environments and hold the potential for unravelling ion-specific effects even in biological situations involving peptidic surfaces.

TL;DR: In this paper, a compact auxiliary basis set matched to the standard augcc-pVnZ and aug-cc- pV(n + d)Z orbital basis sets has been developed for use as resolution-of-the-identity (RI) sets in explicitly correlated F12 calculations.

TL;DR: In this paper, it was shown that a slow quantum bath helps to sustain quantum entanglement of two pairs of Forster coupled excitons, in contrast to a Markovian environment.

TL;DR: In contrast with the previously accepted paradigm, it is now well established that molecular hydrogen may be contained within the nano-sized cavities of clathrates as discussed by the authors, with interesting features such as multiple cavity occupation.

TL;DR: In this paper, a single-crystalline ZnO nanodisk and nanowires with well-developed facets have been synthesized hydrothermally and the results indicate that photocatalytic activity strongly depend on specific crystal planes.

TL;DR: In this paper, a high temperature heat treatment study of CVD-grown graphene nanoribbons up to 2800 °C is presented, demonstrating a progressive annihilation of lattice defects as the heat treatment temperature is raised.

TL;DR: In this article, the electronic parameters of plain 1,2,4-triazole and three isomeric forms of amino-1, 2, 4, 5 triazole have been studied at the B3LYP/6-31G(d,p) level of theory.

TL;DR: In this paper, the binding energy between a single platinum atom and several nitrogen-doped carbon graphene structures was calculated and it was shown that the addition of nitrogen to the support can double the binding energies.

TL;DR: In symmetry-adapted perturbation theory, the charge transfer energy is normally absorbed into the induction energy, but it can be treated separately as discussed by the authors, and the net contribution to hydrogen bond energies is a few kJ −1 at equilibrium, and is approximately proportional to the exchange-repulsion energy at other geometries and no more than 10% of it in magnitude.

TL;DR: In this article, a red shift in V-O charge transfer (CT) with an increase in heat treatment due to increase in covalent bond interaction was found in Ln3+ ion.

TL;DR: The inhibition of prostate cancer cells (PC3 and DU145) viability from tubes encapsulating cisplatin proved the efficiency of the produced delivery system, and the development of CNTs as drug containers would pave the way to their employment as nanovectors into the cells.

TL;DR: In this paper, the role of different types of oxygen centers in catalytic oxidation reactions was investigated using gas-phase cluster reactivity experiments, combined with theoretical calculations, provided insight into how factors such as size, stoichiometry and charging effects influence reactions promoted by metal and metal oxide catalysts.

TL;DR: In this paper, the authors present a review of recent work in their laboratory examining CO oxidation kinetics on Pt-group single crystals using PM-IRAS, XPS, and mass spectrometry from low (10 −8 −10 −3 ) to high (1 −10 2 ǫ ) pressures.

TL;DR: In this paper, phase-sensitive sum-frequency vibrational spectroscopy was used to obtain the OH and OD stretch spectra of the imaginary part of the nonlinear susceptibility, ImχS(2)(ωIR), for H2O/vapor, D2O-vapor interfaces that explicitly characterize their resonances.

TL;DR: An improved version of the method for computing QTAIM with vectorization and parallelization of the previous algorithm, together with molecular symmetry, make the present algorithm as much as two orders of magnitude faster than the original method.

TL;DR: This study forms an Au nanoshell-based complex designed to release single-stranded DNA from its surface when illuminated with plasmon-resonant light, and examines DNA dehybridization induced by excitation of localized surface plasmons on the nanoparticle, relative to the thermal DNA de Hybridization (melting).

TL;DR: In this paper, high quality graphene sheets were synthesized on stainless steel substrates at ∼500°C by microwave plasma chemical vapor deposition (CVD) in an atmosphere of methane/hydrogen mixture.

TL;DR: In this article, a frequency-stepped WURST-QCPMG pulse sequence was used to obtain ultra-wideline NMR spectra of quadrupolar nuclei.

TL;DR: In this paper, a phase-alternated recoupling irradiation scheme (PARIS) was proposed to enhance the efficiency of magnetization transfer between different spins S such as chemically inequivalent carbon-13 nuclei.

TL;DR: In this paper, the average hydrogen bond strength and its distribution are inferred from surface sum-frequency generation (SFG) spectra through the center frequency and width, respectively, of the O-D stretch vibration of isotopically diluted HDO in H 2 O. The use of partially deuterated water prevents complications due to intramolecular vibrational coupling, which gives rise to features in the SFG spectra that are unrelated to hydrogen bonding interactions.

TL;DR: In this paper, the authors reported measurements of the Raman spectra of graphitic g -C 3 N 4 phase using deep ultraviolet (UV, 244 nm) and near-infrared (NIR, 785 nm) light for excitation of Raman scattering.