Social networks and cooperative learning in a MOOC

MOOCs are changing the educational landscape and gaining a lot of attention in scientific literature. However, the pedagogical design of these proposals has been called into question. It is precisely MOOCs’ social aspect, i.e. the interaction between course participants and the support for learning processes that has become one of the main topics of interest. This article presents the results of a research project carried out at the University of the Basque Country, which focused in cooperative learning and the intensive use of social networks in a MOOC. Significant data was compiled through Likert-type surveys, revealing that the use of both external and internal social networks in a massive open online course is a factor that is evaluated positively by students. We argue that the use of social networks as a learning strategy in a MOOC has an influence on academic performance and on the students' success rate. Furthermore, the participants’ age also has a bearing on the social networks they use, and we have found that the younger members tend to work with external networks such as Twitter or personal blogs, whereas the older students are more inclined to use forums from the Chamilo or Ning platforms.

Comment on "Electron collisional excitation of argon-like Ni XI using the Breit-Pauli R-matrix method" [Eur. Phys. J. D 42, 235-241 (2007)] - Electron impact excitation of Ni XI

In a recent paper, Verma et al. [Eur. Phys. J. D 42, 235 (2007)] have reported results for energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 17 levels of the (1s(2)2s(2)2p(6))3s(2)3p(6), 3s(2)3p(5)3d and 3s3p(6)3d configurations of Ni XI. They adopted the CIV3 and R-matrix codes for the generation of wavefunctions and the scattering process, respectively. In this paper, through two independent calculations performed with the fully relativistic DARC (along with GRASP) and FAC codes, we demonstrate that their results are unreliable. New data are presented and their accuracy is assessed.

Energy levels, radiative rates and excitation rates for transitions in Ni XI

Aims. In this paper we report calculations for energy levels, radiative rates and excitation rates for transitions in Ni xi.
Methods. The grasp (General-purpose Relativistic Atomic Structure Package) and fac (Flexible Atomic Code) have been adopted
for calculating energy levels and radiative rates, and the Dirac Atomic R-matrix Code (darc) has been used to determine the excitation
rates.
Results. Oscillator strengths, radiative rates and line strengths are reported for all E1, E2, M1 and M2 transitions among the lowest
250 levels of Ni xi. Additionally, lifetimes are also reported for all levels. However, results for excitation rates are presented only for
transitions among the lowest 17 levels.

The energetics of tetrahydrocarbazole aromatization over Pd(111): A computational analysis

The carbazole moiety is a component of many important pharmaceuticals including anticancer and anti-HIV agents and is commonly utilized in the production of modern polymeric materials with novel photophysical and electronic properties. Simple carbazoles are generally produced via the aromatization of the respective tetrahydrocarbazole (THCZ). In this work, density functional theory calculations are used to model the reaction pathway of tetrahydrocarbazole aromatization over Pd(111). The geometry of each of the intermediate surface species has been determined and how each structure interacts with the metal surface addressed. The reaction energies and barriers of each of the elementary surface reactions have also been calculated, and a detailed analysis of the energetic trends performed. Our calculations have shown that the surface intermediates remain fixed to the surface via the aromatic ring in a manner similar to that of THCZ. Moreover, the aliphatic ring becomes progressively more planer with the dissociation of each subsequent hydrogen atom. Analysis of the reaction energy profile has revealed that the trend in reaction barriers is determined by the two factors: (i) the strength of the dissociating ring-H bond and (ii) the subsequent gain in energy due to the geometric relaxation of the aliphatic ring. (c) 2008 American Institute of Physics.

Hydrogenation/hydrogenolysis of disulfides using sulfided Ni/Mo catalysts

The mechanism of the hydrogenation/hydrogenolysis of dinitrodiphenyldisulfides using sulfided NiMo/ gamma Al2O3 catalysts has been examined in detail. Although two routes are possible, the major pathway involves an initial S-S bond cleavage followed by reduction of the nitro group. Importantly, the disulfide hydrogenolysis occurs in the absence of the catalyst with the role of the catalyst thought to be to activate the hydrogen and trap the cleaved intermediate as well as facilitate the reduction of the nitro group. Monitoring the mass balance throughout the reaction demonstrates the difficulty in measuring intrinsic kinetics for gas-liquid-solid reactions. Although the mass balance is restored at the end of the reaction, up to 45% of the substrate/products is found to be adsorbed on the catalyst during the reaction. (c) 2008 Elsevier B.V. All rights reserved.

Au on (111) and (110) surfaces of CeO2: A density-functional theory study

The atomic structures of gold supported on (111) and (110) surfaces of CeO2 have been studied using density-functional theory calculations. A single Au atom is placed on three adsorption sites on the surfaces; the stoichiometric surfaces, an oxygen vacancy and a Ce-vacancy. It is found that (i) the Au adsorption energies are in the following order: E-ad(Ce-vacancy) > E-ad(O-vacancy) > E-ad(stoichiometric surface); and (ii) the Au atom adsorption on the Ce-vacancy activates O atoms nearby. One 0 atom is less stable than that in O-2 in the gas phase and another O atom is much easier to remove compared to that of the stoichiometric surfaces. These results suggest that the Au adsorption on Ce-vacancies not only creates an O-vacancy but also activates an O atom nearby. This provides a piece of direct evidence that Au adsorption on a Ce-vacancy may be responsible for some unique catalytic properties of Au/CeO2. (C) 2008 Elsevier B.V. All rights reserved.

Insight into association reactions on metal surfaces: Density-functional theory studies of hydrogenation reactions on Rh(111)

Hydrogenation reaction, as one of the simplest association reactions on surfaces, is of great importance both scientifically and technologically. They are essential steps in many industrial processes in heterogeneous catalysis, such as ammonia synthesis (N-2+3H(2)-->2NH(3)). Many issues in hydrogenation reactions remain largely elusive. In this work, the NHx (x=0,1,2) hydrogenation reactions (N+H-->NH, NH+H-->NH2 and NH2+H-->NH3) on Rh(111) are used as a model system to study the hydrogenation reactions on metal surfaces in general using density-functional theory. In addition, C and O hydrogenation (C+H-->CH and O+H-->OH) and several oxygenation reactions, i.e., C+O, N+O, O+O reactions, are also calculated in order to provide a further understanding of the barrier of association reactions. The reaction pathways and the barriers of all these reactions are determined and reported. For the C, N, NH, and O hydrogenation reactions, it is found that there is a linear relationship between the barrier and the valency of R (R=C, N, NH, and O). Detailed analyses are carried out to rationalize the barriers of the reactions, which shows that: (i) The interaction energy between two reactants in the transition state plays an important role in determining the trend in the barriers; (ii) there are two major components in the interaction energy: The bonding competition and the direct Pauli repulsion; and (iii) the Pauli repulsion effect is responsible for the linear valency-barrier trend in the C, N, NH, and O hydrogenation reactions. For the NH2+H reaction, which is different from other hydrogenation reactions studied, the energy cost of the NH2 activation from the IS to the TS is the main part of the barrier. The potential energy surface of the NH2 on metal surfaces is thus crucial to the barrier of NH2+H reaction. Three important factors that can affect the barrier of association reactions are generalized: (i) The bonding competition effect; (ii) the local charge densities of the reactants along the reaction direction; and (iii) the potential energy surface of the reactants on the surface. The lowest energy pathway for a surface association reaction should correspond to the one with the best compromise of these three factors. (C) 2003 American Institute of Physics.

N2O and NO2 formation on Pt(111): A density functional theory study

Catalytic formation of N2O and NO2 were studied employing density functional theory with generalized gradient approximations, in order to investigate the microscopic reaction pathways of these catalytic processes on a Pt(111) surface. Transition states and reaction barriers for the addition of chemisorbed N or chemisorbed O to NO(ads) producing N2O and NO2, respectively, were calculated. The N2O transition state involves bond formation across the hcp hollow site with an associated reaction barrier of 1.78 eV. NO2 formation favors a fcc hollow site transition state with a barrier of 1.52 eV. The mechanisms for both reactions are compared to CO oxidation on the same surface. The activation of the chemisorbed NO and the chemisorbed N or O from the energetically stable initial state to the transition state are both significant contributors to the overall reaction barrier E-a, in contrast to CO oxidation in which the activation of the O-(ads) is much greater than CO(ads) activation. (C) 2002 American Institute of Physics.

Hydrogenation of S to H2S on Pt(111): A first-principles study

Density-functional theory has been used to investigate the chemisorption of S, SH, and H2S as well as the coadsorption of S and H and SH and H on Pt(111). In addition reaction pathways and energy profiles for the conversion of adsorbed S and H into gas-phase H2S have been determined. It has been found that S, SH, and H2S bind preferentially at face-centered-cubic (fcc), bridge, and top sites, respectively. Both the S+H and SH+H reactions have high barriers (similar to1 eV) and high exothermicities (similar to1 eV). This reveals that adsorbed H2S and SH are highly unstable adsorbates on Pt(111) and that adsorbed S (and H) is the most stable SHX (X=0,1,2) intermediate on Pt(111) (C) 2001 American Institute of Physics.