5 resultados para Organic physical chemistry

em Universidad de Alicante


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The methodological approach a teacher uses in the competence teaching-learning process determines the way students learn. Knowledge can be acquired from a series of perspectives, mainly: “know-what” (concept), where facts and descriptions of (natural or social) phenomena are pursued; “know-how” (procedure), where methods and procedures for their application are described; and “know-why” (competence), where general principles and laws that explain both the facts and their applications are sought. As all the three cases are interconnected, the boundaries between them are not fully clear and their application uses shared elements. In any case, the depth of student’s acquired competences will be directly affected by the teaching-learning perspective, traditionally aiming to a “know-why” approach for full competence acquisition. In this work, we discuss a suitable teaching-learning methodology for evaluating whether a “know-how”, “know-what” or combined approach seems better for enhancing competence learning in students. We exemplify the method using a selection of formative activities from the Physical Chemistry area in the Grades of Chemistry and Chemical Engineering.

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Competences have become a standard learning outcome in present university education within the European Higher Education Area (EHEA). In this regard, updated tools for their assessment have turned out essential in this new teaching-learning paradigm. Among them, one of the most promising tools is the “learner´s portfolio”, which is based on the gathering and evaluation of a range of evidences from the student, which provides a wider and more realistic view of his/her competence acquisition. Its appropriate use as a formative (continuous) assessment instrument allows a deeper appraisal of student´s learning, provided it does not end up as another summative (final) evaluation tool. In this contribution we propose the use of the portfolio as a unifying assessment tool within a university department (Physical Chemistry), exemplifying how the portfolio could yield both personalized student reports and averaged area reports on competence acquisition. A proposed stepwise protocol is given to organize the individual competence reports and estimate the global competence level following a bottom-up approach (i.e. ranging from the class group, subject, grade, and academic course).

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We have studied the role played by cyclic topology on charge-transfer properties of recently synthesized π -conjugated molecules, namely the set of [n]cycloparaphenylene compounds, with n the number of phenylene rings forming the curved nanoring. We estimate the charge-transfer rates for holes and electrons migration within the array of molecules in their crystalline state. The theoretical calculations suggest that increasing the size of the system would help to obtain higher hole and electron charge-transfer rates and that these materials might show an ambipolar behavior in real samples, independently of the different mode of packing followed by the [6]cycloparaphenylene and [12]cycloparaphenylene cases studied.

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We theoretically describe in this work the n-type semiconducting behavior of a set of bis(arylene-ethynylene)-s-tetrazines ((ArCC)2Tz), by comparing their electronic properties with those of their parent diaryl-s-tetrazines (Ar2Tz) after the introduction of ethynylene bridges. The significantly reduced internal reorganization energy for electron transfer is ascribed to an extended delocalization of the LUMO for (ArCC)2Tz as opposite to that for Ar2Tz, which was described mostly localized on the s-tetrazine ring. The largest electronic coupling and the corresponding electron transfer rates found for bis(phenyl-ethynylene)-s-tetrazine, as well as for some halogenated derivatives, are comparable to those reported for the best performing n-type organic semiconductor materials such as diimides and perylenes. The theoretical mobilities for the studied compounds turn out to be in the range 0.3–1.3 cm2 V–1 s–1, close to values experimentally determined for common n-type organic semiconductors used in real devices. In addition, ohmic contacts can be expected when these compounds are coupled to metallic cathodes such as Na, Ca, and Sm. For these reasons, the future application of semiconducting bis(phenyl-ethynylene)-s-tetrazine and its fluorinated and brominated derivatives in optoelectronic devices is envisioned.

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Perylene bisimides (PBIs) are n-type semiconducting and photogenerating materials widely used in a variety of optoelectronic devices. Particularly interesting are PBIs that are simultaneously water-soluble and liquid-crystalline (PBI-W+LC) and, thus, attractive for the development of high-performing easily processable applications in biology and “green” organic electronics. In this work, singular temperatures connected to charge transport mechanism transitions in a PBI-W+LC derivative are determined with high accuracy by means of temperature-dependent photocurrent studies. These singular temperatures include not only the ones observed at 60 and 110 °C, corresponding to phase transition temperatures from crystalline to liquid-crystalline (LC) and from LC to the isotropic phase, respectively, as confirmed by differential scanning calorimetry (DSC), but also a transition at 45 °C, not observed by DSC. By analyzing the photocurrent dependence simultaneously on temperature and on light intensity, this transition is interpreted as a change from monomolecular to bimolecular recombination. These results might be useful for other semiconducting photogenerating materials, not necessarily PBIs or even organic semiconductors, which also show transport behavior changes at singular temperatures not connected with structural or phase transitions.