Search results for "0915 Interdisciplinary Engineering"
showing 3 items of 3 documents
Targeted steel frames by means of innovative moment resisting connections
2021
Abstract The present paper proposes the use of stepped cross section devices on steel frames aiming at reproducing a pre-established target push-over curve. To this aim a Limited Resistance Plastic Device (LRPD) to be inserted along selected structural members is proposed. The following two main specific features for LRPD are required: any elastic flexural stiffness variation of the original selected member must be avoided; an ultimate plastic bending moment value equal to an assigned percentage of the original limit resistance value must be ensured. Steel frames equipped with LRPD are modeled by means of an extension of a recently proposed Fibre Smart Displacement Based (FSDB) beam element…
Bandgap lowering in mixed alloys of Cs2Ag(SbxBi1−x)Br6 double perovskite thin films
2020
Halide double perovskites have gained significant attention, owing to their composition of low-toxicity elements, stability in air and long charge-carrier lifetimes. However, most double perovskites, including Cs2AgBiBr6, have wide bandgaps, which limit photo conversion efficiencies. The bandgap can be reduced through hallowing with Sb3+, but Sb-rich alloys are difficult to synthesise due to the high formation energy of Cs2AgSbBr6, which itself has a wide bandgap. We develop a solution-based route to synthesis phase-pure Cs2Ag(SbxBi1-x)Br6 thin films, with the mixing parameter x continuous varying over the entire composition range. We reveal that the mixed alloys (x between 0.5 and 0.9) dem…
Ligand engineering in Cu(ii) paddle wheel metal–organic frameworks for enhanced semiconductivity
2020
We report the electronic structure of two metal-organic frameworks (MOFs) with copper paddle wheel nodes connected by a N2(C2H4)3 (DABCO) ligand with accessible nitrogen lone pairs. The coordination is predicted, from first-principles density functional theory, to enable electronic pathways that could facilitate charge carrier mobility. Calculated frontier crystal orbitals indicate extended electronic communication in DMOF-1, but not in MOF-649. This feature is confirmed by bandstructure calculations and effective masses of the valence band egde. We explain the origin of the frontier orbitals of both MOFs based on the energy and symmetry alignment of the underlying building blocks. The effe…