1,721,234 research outputs found
Materiali porosi per l’energy storage, energy scavenging e altre applicazioni technologiche
No full textIl tema di questa ricerca è lo studio dei principi chimico-fisici controllanti l’intrusione/estrusione di liquidi in metal-organic framework, MOF, idrofobi (Fig1). Attraverso i MOF idrofobi sarà possibile realizzare dispositivi per l’accumulo, dissipazione e riciclo di energia dispersa nell’ambiente, con applicazioni che vanno dalla produzione di “energia verde” (accumulo e riciclo) all’ingegneria aerospaziale (dissipazione)
PROVING-IL: PeROVskite Interface eNgineerinG with Ionic Liquids
No full text3rd generation photovoltaics will further revolutionize the field of energy enabling a distributed energy harvesting. To achieve this goal, new low-cost, high-efficiency and robust materials are needed. Halide perovskites are key materials that attracted significant attention over the last 5-10 years thanks to their high efficiency: > 23% of the harvested light is converted in electric current in the best perovskite solar cells.
To further enhance the efficiency, reliability and stability of perovskite solar cells several shortcomings must be solved, one being the relatively poor electron extraction at the TiO2/perovskite contact in planar solar cells, which are simpler to fabricate and thus commercially more promising. One of the strategies recently proposed to address this issue is the introduction of a layer of ionic liquids between the TiO2 and perovskite films. The objective of the PROVING-IL project is to use advanced simulation techniques to understand the microstructure and electronic transport properties of the TiO2/ionic liquid/perovskite heterostructure that lead to the sizable enhancement of performance measured in experiments. The final objective of the PROVING-IL project is to identify design principles to optimize the chemical composition of ionic liquids that can bring to the fabrication of high-performance planar perovskite solar cells
Perovskiti di alogenuri: controllo della formazione e migrazione dei difetti di punto per l'ottimizzazione dell'efficienza fotovoltaica
No full textStudio della migrazione dei difetti di punto in Halide perovskite
Processi e strutture di sistemi di fase solida studiati con metodi di dinamica molecolare e diffrazione di raggi X
No full textADRENALINE - hAliDe peRovskites sEqueNtiAL deposItioN mEchanism (by ab initio
No full textThe objective of the ADRENALINE project is to study the atomistic mechanism, energetics and kinetics of the sequential deposition method of (hybrid) lead halide perovskites for 3rd generation solar cells and optoelectronics applications. The project is based on ab initio rare event simulations of the key step of the process, the intercalation of the cation A+ (me- thylammonium, CH3NH3+, formamidinium, (NH2)2CH+, and Cesium cation, Cs+) and anion X- (I-, Br- and Cl-) and reorganization of the intermediate product into the final one. The PI of the ADRENALINE project is an expert of rare event techniques who have contribute to de- velop some of the methods used in the field. Dr. Meloni has already applied rare event tech- niques to processes occurring in lead halide perovskites. The project will be developed in parallel to an experimental activity performed in the group of Prof Graetzel
MOF to prevent degradation of hybrid halide perovskites
No full textHybrid Perovskite, HP, emerged as a competitive, low-cost, highly-efficient photovoltaic technology. Its adoption, however, is prevented by the poor stability of this material under the action of stressing agents, e.g., humidity. Here, I propose to investigate the use of metal-organic frameworks as multi-functional self-assembling protecting layer, which can also capture environmentally harming metals, e.g., lead, which can be released during the years of operation of a solar panel
Understanding the formation of gas bubbles at liquid–liquid interfaces
No full textThe formation of bubbles at liquid–liquid interfaces is challenging to explain because gas pockets cannot be stabilized by cracks on solid impurities. Experiments show that a difference in the gas solubilities of two immiscible liquids provides a gas reservoir, which allows gas to accumulate at the interface, leading to bubble formation
COMPARISON OF MOLECULAR DYNAMICS AND X-RAY POWDER DIFFRACTION DATA IN SYSTEMS INVOLVING WEAKLY BOUND GUEST MOLECULES: THE CASO4 X 0.5H20 EXAMPLE
No full textAB-INITIO MOLECULAR DYNAMICS INVESTIGATION OF STRUCTURAL PROPERTIES AND WATER DYNAMICS OF CALCIUM SULFATE SUB-HYDRATES.
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