1,806 research outputs found

    The commitment to sustainable investment in the public transportation sector as an opportunity for european cities to reach carbon neutrality

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    Sustainable infrastructure projects play a crucial role in supporting European cities to adopt the goal of the Paris Climate Agreement. The broader research topic addresses the prospects for European transportation companies to commit to sustainable actions and support the goal of carbon neutrality by 2050. While other studies investigated the effect of a commitment to sustainable efforts on customer loyalty, this is the first study to examine that a commitment has no direct impact on European cities’ Co2 emissions. Furthermore, it depicts the weak financial performance of European public transportation companies, indicating that they need financial support to realize their commitment targets

    Co-creating the GreenSCENT apps: Seeing the results

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    This GreenSCENT report summarises the content, structure and results emerged during the Youth Design Assembly workshop that took place in June 2023

    Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Investigation.

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    Knowledge of the relative stabilities of alane (AlH(3)) complexes with electron donors is essential for identifying hydrogen storage materials for vehicular applications that can be regenerated by off-board methods; however, almost no thermodynamic data are available to make this assessment. To fill this gap, we employed the G4(MP2) method to determine heats of formation, entropies, and Gibbs free energies of formation for 38 alane complexes with NH(3-n)R(n) (R = Me, Et; n = 0-3), pyridine, pyrazine, triethylenediamine (TEDA), quinuclidine, OH(2-n)R(n) (R = Me, Et; n = 0-2), dioxane, and tetrahydrofuran (THF). Monomer, bis, and selected dimer complex geometries were considered. Using these data, we computed the thermodynamics of the key formation and dehydrogenation reactions that would occur during hydrogen delivery and alane regeneration, from which trends in complex stability were identified. These predictions were tested by synthesizing six amine-alane complexes involving trimethylamine, triethylamine, dimethylethylamine, TEDA, quinuclidine, and hexamine and obtaining upper limits of ΔG° for their formation from metallic aluminum. Combining these computational and experimental results, we establish a criterion for complex stability relevant to hydrogen storage that can be used to assess potential ligands prior to attempting synthesis of the alane complex. On the basis of this, we conclude that only a subset of the tertiary amine complexes considered and none of the ether complexes can be successfully formed by direct reaction with aluminum and regenerated in an alane-based hydrogen storage system

    Cobalt-Porphyrin Catalyzed Electrochemical Reduction of Carbon Dioxide in Water II: Mechanism from First Principles

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    We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. Density Functional Theory calculations with hybrid functionals and dielectric continuum solvation are used to determine the steps at which electrons are added. This information is corroborated with ab initio molecular dynamics simulations in an explicit aqueous environment which reveal the critical role of water in stabilizing a key intermediate formed by CO2 bound to cobalt. Using potential of mean force calculations, the intermediate is found to spontaneously accept a proton to form a carboxylate acid group at pH<9.0, and the subsequent cleavage of a C-OH bond to form CO is exothermic and associated with a small free energy barrier. These predictions suggest that the proposed reaction mechanism is viable if electron transfer to the catalyst is sufficiently fast. The variation in cobalt ion charge and spin states during bond breaking, DFT+U treatment of cobalt 3d orbitals, and the need for computing electrochemical potentials are emphasized.Comment: 33 pages, 7 figure

    Measuring academic learning and exam self-efficacy at admission to university and its relation to first-year attrition: an IRT-based multi-program validity study

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    Self-efficacy is associated with both academic performance and attrition in higher education. Whether it is possible to measure students’ academic self-efficacy after admission and prior to commencing higher education (i.e. pre-academic self-efficacy) in a valid and reliable way has hardly been studied. Aims: 1) to evaluate the construct validity and psychometric properties of two short scales to measure Pre-Academic Learning Self-Efficacy (PAL-SE) and Pre-Academic Exam Self-Efficacy (PAE-SE) using Rasch measurement models, 2) to investigate whether pre-academic self-efficacy was associated with half-year attrition across degree programs and institutions. Data consisted of 2686 Danish students admitted to nine different university degree programs across two institutions. Item analyses showed both scales to be essentially objective and construct valid, however, all items from the PAE-SE and two from the PAL-SE were locally dependent. Differential item functioning was found for the PAL-SE&nbsp; relative to degree programs. Reliability of the PAE-SE was .77, and varied for the PAL-SE&nbsp; from .79 to .86 across degree programs. Targeting was good only for the PAL-SE, thus we proceeded with the PAL-SE. PAL-SE was found to be associated with half-year attrition: A difference in PAL-SE from minimum to maximum was associated with a difference in half-year attrition of approximately 7%. This association was found both in the bivariate model and in the multivariate models with control of degree program, and with control of degree program and individual covariates such as earlier educational achievement and social background variables. Results thus also indicate that PAL-SE has a causal effect on half-year attrition

    Investigating different structures for the X(3872)X(3872)

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    Using the QCD spectral sum rule approach we investigate different currents with JPC=1++J^{PC}=1^{++}, which could be associated with the X(3872)X(3872) meson. Our results indicate that, with a four-quark or molecular structure, it is very difficult to explain the narrow width of the state unless the quarks have a special color configuration.Comment: 4 pages. Contribution to the proceedings of the 15th International QCD Conference (QCD10
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