We report on the synthesis of phase-pure TiO(2) nanoparticles in anatase, rutile and brookite structures, using amorphous titania as a common starting material. Phase formation was achieved by hydrothermal treatment at elevated temperatures with the appropriate reactants. Anatase nanoparticles were obtained using acetic acid, while phase-pure rutile and brookite nanoparticles were obtained with hydrochloric acid at a different concentration. The nanomaterials were characterized using x-ray diffraction, UV-visible reflectance spectroscopy, dynamic light scattering, and transmission electron microscopy. We propose that anatase formation is dominated by surface energy effects, and that rutile and brookite formation follows a dissolution-precipitation mechanism, where chains of sixfold-coordinated titanium complexes arrange into different crystal structures depending on the reactant chemistry. The particle growth kinetics under hydrothermal conditions are determined by coarsening and aggregation-recrystallization processes, allowing control over the average nanoparticle size.
Figure S1. Calculated IR spectrum and intensities for Pd 4 H 2 /C 53 H 18 cluster model. Figure S2. a) Relaxed structures for the H 2 absorption in the gas phase Pd atom, Pd(H 2) x with x=1-4 cluster.
We show that the feature of Klein tunneling makes graphene a unique interface for implementing low control quantum gates between static and mobile qubits. A ballistic electron spin is considered as the mobile qubit, while the static qubit is the electronic spin of a quantum dot fixed in a graphene nanoribbon. Scattering is the low control mechanism of the gate, which, in other systems, is really difficult to exploit because of both backscattering and the momentum dependence of scattering. We find that Klein tunneling enables the implementation of quasi-deterministic quantum gates regardless of the momenta or the shape of the wave function of the incident electron. The Dirac equation is used to describe the system in the one particle approximation with the interaction between the static and the mobile spins modelled by a Heisenberg Hamiltonian. Furthermore, we discuss an application of this model to generate entanglement between two well separated static qubits.
The effect of strain on the Landau levels (LLs) spectra in graphene is studied, using an effective Dirac-like Hamiltonian which includes the distortion in the Dirac cones, anisotropy and spatial-dependence of the Fermi velocity induced by the lattice change through a renormalized linear momentum. We propose a geometrical approach to obtain the electron's wave-function and the LLs in graphene from the Sturm-Liouville theory, using the minimal substitution method. The coefficients of the renormalized linear momentum are fitted to the energy bands, which are obtained from a Density Functional Theory (DFT) calculation. In particular, we evaluate the case of Dirac cones with an ellipsoidal transversal section resulting from uniaxially strained graphene along the armchair (AC) and zig-zag (ZZ) directions. We found that uniaxial strain in graphene induces a contraction of the LLs spectra for both strain directions. Also, is evaluated the contribution of the tilting of Dirac cone axis resulting from the uniaxial deformations to the contraction of the LLs spectra.
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