Electronic structure and interfacial features of triphenylamine- and phenothiazine-based hole transport materials for methylammonium lead iodide perovskite solar cells.

Recently, great research efforts have been devoted to perovskite solar cells (PSCs) leading to sunlight-to-power conversion efficiencies above 25%. However, several barriers still hinder the full deployment of these devices. Critical issues are related to PCE stability and device lifetimes, which could be improved by targeted engineering of the hole transport material (HTM).

The critical issue of using lead for sustainable massive production of perovskite solar cells: a review of relevant literature.

This work aims to review the most significant studies dealing with the environmental issues of the use of lead in perovskite solar cells (PSCs). A careful discussion and rationalization of the environmental and human health toxicity impacts, evaluated by life cycle assessment and risk assessment studies, is presented. The results of this analysis are prospectively related to the possible future massive production of PSC technology.

Environmental and economic optima of solar home systems design: A combined LCA and LCC approach.

This paper compares the economic and environmental optimal design of Solar Home Systems (SHSs) and explores the role of economic incentives (such as tariffs and technology costs) in approximating the two optima. To achieve that, we present a methodology for the environmental and economic evaluation of grid-connected SHSs: user-scale electric systems involving a photovoltaic (PV) power system and a battery energy storage system. The proposed methodology is based on a mixed integer linear programming (MILP) optimization, life cycle assessment and life cycle costing.

Life Cycle Inventories datasets for future European electricity mix scenarios.

Datasets concerning the European electricity mix, built employing the Ecoinvent database v.3.3 processes, are reported in this paper.

Combined LCA and Green Metrics Approach for the Sustainability Assessment of an Organic Dye Synthesis on Lab Scale.

New generation photovoltaic devices have attracted much attention in the last decades since they can be efficiently manufactured employing abundant raw materials and with less-energy intensive processes. In this context, the use of powerful environmental assessment is pivotal to support the fine-tuning of solar cells fabrication and hit the target of manufacturing effective sustainable technological devices. In this work, a mass-based green metrics and life cycle assessment combined approach is applied to analyze the environmental performances of an innovative synthetic protocol for the preparation of organic dye , which has been successfully proposed as sensitizer for manufacturing dye sensitized solar cells.

Paramagnetism and Relaxation Dynamics in Melanin Biomaterials.

Spectroscopical characterization of melanins is a prior requirement for the efficient tailoring of their radical scavenging, ultraviolet-visible radiation absorption, metal chelation, and natural pigment properties. Electron paramagnetic resonance (EPR), exploiting the common persistent paramagnetism of melanins, represents the elective standard for the structural and dynamical characterization of their constituting radical species. Although melanins are mainly investigated using X-band (9.

Life Cycle Inventory datasets for nano-grid configurations.

Datasets concerning some user-scale Smart Grids, named Nano-grids, are reported in this paper. First several Solar Home Systems composed of a photovoltaic plant, a backup generator and different types of lithium-ion batteries are provided. Then, the inventory analysis of hybrid Nano-grids integrating batteries and hydrogen storage is outlined according to different scenarios.

Environmental analysis of a nano-grid: A Life Cycle Assessment.

Renewable energy sources are fundamental to face the problem of climate changes. Unfortunately, some resources, such as wind and solar radiation, have fluctuations affecting the electrical grids stability. Energy storage systems can be used for a smart energy management to accumulate power from renewable sources.

Addition of new catalytic sites on the surface of versatile peroxidase for enhancement of LRET catalysis.

Versatile peroxidase (VP) from Bjerkandera adusta is an enzyme able to oxidize bulky and high-redox substrates trough a Long-Range Electron Transfer (LRET) pathway. In this study, the introduction of radical-forming aromatic amino acids by chemical modification of the protein surface was performed, and the catalytic implications of these additional surface active-sites on the oxidation of 2,6-dimethylphenol, Mn and Remazol Brilliant Blue R (RBBR) were determined. These three different substrates are oxidized in different active-sites of enzyme molecule, of which the high redox RBBR the only one that is transformed by an external radical formed on the protein surface.

New Blue Donor-Acceptor Pechmann Dyes: Synthesis, Spectroscopic, Electrochemical, and Computational Studies.

The design, synthesis, and characterization of a new class of blue-colored thiophene-substituted Pechmann dyes are reported. Due to a distinguishing blue coloration and the capability to absorb light in one of the most photon-dense regions of the solar spectrum, such compounds are of great interest for application as photoactive materials in organic optoelectronics, in particular, in dye-sensitized solar cells. To achieve fine tuning of the optical and electrochemical properties, the electron-poor thiophene-bis-lactone moiety has been decorated with donor (D) and acceptor groups (A), targeting fully conjugated D-A-π-A structures.

Data analysis of atmospheric emission from geothermal power plants in Italy.

Electric production from geothermal energy is still little exploited compared to its large potential and to the World renewable energy production from other sources. Some countries have exploited this energy source in order to enhance their transition to renewables. Today the largest geothermal energy producers in the world are New Zealand, U.

Spectroscopic Characterization of Natural Melanin from a Strain and Comparison with Melanin Enzymatically Synthesized by Tyrosinase and Laccase.

An actinobacteria strain was isolated from Algerian Sahara soil and assigned to Pridham et al. 1958 species. This strain was selected for its ability to produce melanin exopigments in liquid and solid media.

LCA of 1,4-Butanediol Produced via Direct Fermentation of Sugars from Wheat Straw Feedstock within a Territorial Biorefinery.

The bio-based industrial sector has been recognized by the European Union as a priority area toward sustainability, however, the environmental profile of bio-based products needs to be further addressed. This study investigated, through the Life Cycle Assessment (LCA) approach, the environmental performance of bio-based 1,4-butanediol (BDO) produced via direct fermentation of sugars from wheat straw, within a hypothetical regional biorefinery (Campania Region, Southern Italy). The aim was: (i) to identify the hotspots along the production chain; and (ii) to assess the potential environmental benefits of this bio-based polymer versus the reference conventional product (fossil-based BDO).

Photoinduced excitation and charge transfer processes of organic dyes with siloxane anchoring groups: a combined spectroscopic and computational study.

Dye-sensitized solar cells (DSSCs) have attracted significant interest in the last few years as effective low-cost devices for solar energy conversion. We have analyzed the excited state dynamics of several organic dyes bearing both cyanoacrylic acid and siloxane anchoring groups. The spectroscopic properties of the dyes have been studied both in solution and when adsorbed on a TiO film using stationary and time-resolved techniques, probing the sub-picosecond to nanosecond time interval.

Tyrosine or Tryptophan? Modifying a Metalloradical Catalytic Site by Removal of the Cys-Tyr Cross-Link in the Galactose 6-Oxidase Homologue GlxA.

The concerted redox action of a metal ion and an organic cofactor is a unique way to maximize the catalytic power of an enzyme. An example of such synergy is the fungal galactose 6-oxidase, which has inspired the creation of biomimetic copper oxidation catalysts. Galactose 6-oxidase and its bacterial homologue, GlxA, possess a metalloradical catalytic site that contains a free radical on a covalently linked Cys-Tyr and a copper atom.

Life Cycle Assessment of second generation bioethanol produced from low-input dedicated crops of Arundo donax L.

This work presents a Life Cycle Assessment (LCA) of bioethanol (EtOH) from perennial Arundo donax L. feedstock. A "cradle-to-wheel" approach was applied considering primary data for the cultivation of dedicated crops on hilly marginal lands and innovative "second generation technologies" for feedstock conversion into EtOH.

Redox-Active Sites in Auricularia auricula-judae Dye-Decolorizing Peroxidase and Several Directed Variants: A Multifrequency EPR Study.

Peroxide-activated Auricularia auricula-judae dye-decolorizing peroxidase (DyP) forms a mixed Trp377 and Tyr337 radical, the former being responsible for oxidation of the typical DyP substrates (Linde et al. Biochem. J.

Spectroscopic and computational characterization of laccases and their substrate radical intermediates.

Laccases are multicopper oxidases which oxidize a wide variety of aromatic compounds with the concomitant reduction of oxygen to water as by-product. Due to their high stability and biochemical versatility, laccases are key enzymes to be used as eco-friendly biocatalyst in biotechnological applications. The presence of copper paramagnetic species in the catalytic site paired with the substrate radical species produced in the catalytic cycle makes laccases particularly attractive to be studied by spectroscopic approaches.

EPR and LC-MS studies on the mechanism of industrial dye decolorization by versatile peroxidase from Bjerkandera adusta.

The mechanisms of industrial dye transformation by versatile peroxidase were elucidated. Purified versatile peroxidase from Bjerkandera adusta was able to decolorize different classes of dyes including azo and phthalocyanines, but unable to transform any of the anthraquinones tested. Kinetic constants for selected dyes were determined and the transformation products were analyzed by EPR spectroscopy and mass spectrometry.

Comparative attributional life cycle assessment of annual and perennial lignocellulosic feedstocks production under Mediterranean climate for biorefinery framework.

Annual fiber sorghum (FS) and perennial giant reed (GR) cultivated in the Mediterranean area are interesting due to their high productivity under drought conditions and their potential use as lignocellulosic feedstock for biorefinery purposes. This study compares environmental constraints related to FS and GR produced on experimental farms (in the Campania region) using an attributional life cycle assessment (LCA) approach through appropriate modeling of the perennial cultivation. For both crops, primary data were available for agricultural management.

Organic dyes with intense light absorption especially suitable for application in thin-layer dye-sensitized solar cells.

Three new thiazolo[5,4-d]thiazole-based organic dyes have been designed and synthesized for employment as DSSC sensitizers. Alternation of the electron poor thiazolothiazole unit with two propylenedioxythiophene (ProDOT) groups ensured very intense light absorption in the visible region (ε up to 9.41 × 10(4) M(-1) cm(-1) in THF solution).

In silico spectroscopy of tryptophan and tyrosine radicals involved in the long-range electron transfer of cytochrome c peroxidase.

Cytochrome c peroxidase (CcP) is a heme-containing enzyme that catalyzes the oxidation of the ferrocytochrome c to ferricytochrome c with concomitant reduction of H2O2 to H2O. Its catalytic cycle involves the formation of a double oxidized species (compound I) consisting of an oxoferryl center (Fe(IV)═O) and an amino acid radical (R(•)). Here we use a quantum-mechanics/molecular-mechanics (QM/MM) computational protocol based on density functional theory (DFT) and multiconfigurational perturbation theory (CASPT2) methods to reproduce specific features of compound I EPR and UV-vis spectra.

Effective mutations in a high redox potential laccase from Pleurotus ostreatus.

Since the first report on a laccase, there has been a notable development in the interest towards this class of enzymes, highlighted from the number of scientific papers and patents about them. At the same time, interest in exploiting laccases-mainly high redox potential-for various functions has been growing exponentially over the last 10 years. Despite decades of work, the molecular determinants of the redox potential are far to be fully understood.