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Hydrogen isotope separation can be achieved by confinement to small mesoporous structures or by strong adsorption sites. MOFs are attractive candidates for isotope separation, considering their tunable pore structures and the potential to introduce adsorption sites. In this research, we investigate the formation of elongated dihydrogen complexes near MOF’s open metal sites as a promising reaction for isotope separation. The electronic structure of all MOFs (M is the first-row transition metal) is studied based on density functional theory. The quantum chemical approach suggests Fe-MOF as a promising candidate for isotope separation by modeling the non-covalent interactions with the active site/H2 cluster.

Background & aim: Hospital wastes contain a wide range of microorganisms and require special management due to their dangerous properties, and their improper disposal is considered a serious threat to the environment and public health. Therefore, the purpose of the present study was to determine and influence the educational intervention based on the theory of planned behavior on the behaviors of employees in the waste management of Hafez Hospital of Shiraz, Iran. Methods: The present interval study was conducted in 2018 on all healthcare personnel (170 people) and service workers (32 people) of Hafez hospital of Shiraz, Iran. The statistical population of the present study was completed by enumeration. The measurement tool in the present study was a questionnaire based on the theory of planned behavior and knowledge assessment which its validity and reliability were estimated and used by experts. Other tools included a waste management evaluation checklist which included management infrastructure, separation, collection, transportation, temporary storage, disposal, and weighing form of hospital wastes. The present study was conducted in two stages before and after the educational intervention. In the first stage, before the educational intervention, information was collected through questionnaires, a waste management evaluation checklist, and waste weighing continuously for a week. Then the educational content was designed. Two months after the educational intervention, in the second stage, the health care and service workers completed the questionnaires once more. Moreover, the checklist was completed and the waste was weighed over again. Obtained data were analyzed using SPSS software version 22 and parametric (paired t-test) and non-parametric (Wilcoxon) tests. Results: The findings indicated a significant difference in the mean score of knowledge, attitude, subjective norms, perceived behavioral control, and behavioral intention among both group health care workers and service workers after the intervention (P

Finding new thermoelectric materials that can achieve high performance is vital to realizing the potential of future energy harvesting technology. Here, through computation methods, the authors identify two high-performance full-Heusler thermoelectric compounds with high intrinsic band degeneracy.

Solid-state entropy of reduction increases the thermodynamic efficiency of ceria for two-step thermochemical water splitting. Here, the authors report a large and different source of entropy, the onsite electronic configurational entropy arising from coupling between orbital and spin angular momenta in f orbitals.