Geomaterials related to photovoltaics: a nanostructured Fe-bearing kuramite,Cu<Subscript>3</Subscript>SnS<Subscript>4</Subscript>     

Francesco Di Benedetto  Ilaria Bencistà  Francesco D’Acapito  Silvia Frizzera  Andrea Caneschi  Massimo Innocenti  Alessandro Lavacchi  Giordano Montegrossi  Werner Oberhauser  Maurizio Romanelli  Herbert Dittrich  Luca A. Pardi  Gerold Tippelt  Georg Amthauer 《Physics and Chemistry of Minerals》2016,43(8):535-544

The successful synthesis of nanoparticles of Fe-bearing kuramite, (Cu,Fe)₃SnS₄, is reported in this study. Nanocrystalline powders were obtained through a mild, environmentally friendly and scalable solvothermal approach, in a single run. The sample was the object of a multidisciplinary investigation, including X-ray diffraction and absorption, scanning electron microscopy and microanalysis, electron paramagnetic resonance, diffuse reflectance and Mössbauer spectroscopy as well as SQUID magnetometry. The nanoparticles consist of pure Fe-bearing kuramite, exhibiting tetragonal structure. The valence state of the metal cations was assessed to be Cu⁺, Sn⁴⁺ and Fe³⁺. The material presents a band gap value of 1.6 eV, which is fully compatible with solar cell applications. The uptake of Fe by nanokuramite opens a compositional field where the physical properties can be tuned. We thus foster the application of Fe-bearing nanokuramite for photovoltaics and energy storage purposes.  相似文献   

H-bonding scheme and cation partitioning in axinite: a single-crystal neutron diffraction and Mössbauer spectroscopic study     

G. Diego Gatta  Günther J. Redhammer  Alessandro Guastoni  Giorgio Guastella  Martin Meven  Alessandro Pavese 《Physics and Chemistry of Minerals》2016,43(5):341-352

The crystal chemistry of a ferroaxinite from Colebrook Hill, Rosebery district, Tasmania, Australia, was investigated by electron microprobe analysis in wavelength-dispersive mode, inductively coupled plasma–atomic emission spectroscopy (ICP–AES), ⁵⁷Fe Mössbauer spectroscopy and single-crystal neutron diffraction at 293 K. The chemical formula obtained on the basis of the ICP–AES data is the following: \( ^{X1,X2} {\text{Ca}}_{4.03} \,^{Y} \left( {{\text{Mn}}_{0.42} {\text{Mg}}_{0.23} {\text{Fe}}^{2 + }_{1.39} } \right)_{\varSigma 2.04} \,^{Z1,Z2} \left( {{\text{Fe}}^{3 + }_{0.15} {\text{Al}}_{3.55} {\text{Ti}}_{0.12} } \right)_{\varSigma 3.82} \,^{T1,T2,T3,T4} \left( {{\text{Ti}}_{0.03} {\text{Si}}_{7.97} } \right)_{\varSigma 8} \,^{T5} {\text{B}}_{1.96} {\text{O}}_{30} \left( {\text{OH}} \right)_{2.18} \). The ⁵⁷Fe Mössbauer spectrum shows unambiguously the occurrence of Fe²⁺ and Fe³⁺ in octahedral coordination only, with Fe²⁺/Fe³⁺ = 9:1. The neutron structure refinement provides a structure model in general agreement with the previous experimental findings: the tetrahedral T1, T2, T3 and T4 sites are fully occupied by Si, whereas the T5 site is fully occupied by B, with no evidence of Si at the T5, or Al or Fe³⁺ at the T1–T5 sites. The structural and chemical data of this study suggest that the amount of B in ferroaxinite is that expected from the ideal stoichiometry: 2 a.p.f.u. (for 32 O). The atomic distribution among the X1, X2, Y, Z1 and Z2 sites obtained by neutron structure refinement is in good agreement with that based on the ICP–AES data. For the first time, an unambiguous localization of the H site is obtained, which forms a hydroxyl group with the oxygen atom at the O16 site as donor. The H-bonding scheme in axinite structure is now fully described: the O16–H distance (corrected for riding motion effect) is 0.991(1) Å and an asymmetric bifurcated bonding configuration occurs, with O5 and O13 as acceptors [i.e. with O16···O5 = 3.096(1) Å, H···O5 = 2.450(1) Å and O16–H···O5 = 123.9(1)°; O16···O13 = 2.777(1) Å, H···O13 = 1.914(1) Å and O16–H···O13 = 146.9(1)°].  相似文献   

Thermodynamics and phonon dispersion of pyrope and grossular silicate garnets from ab initio simulations     

Jacopo Baima  Matteo Ferrabone  Roberto Orlando  Alessandro Erba  Roberto Dovesi 《Physics and Chemistry of Minerals》2016,43(2):137-149

The phonon dispersion and thermodynamic properties of pyrope (\(\hbox {Mg}_3\hbox {Al}_2\hbox {Si}_3\hbox {O}_{12}\)) and grossular (\(\hbox {Ca}_3\hbox {Al}_2\hbox {Si}_3\hbox {O}_{12}\) ) have been computed by using an ab initio quantum mechanical approach, an all-electron variational Gaussian-type basis set and the B3LYP hybrid functional, as implemented in the Crystal program. Dispersion effects in the phonon bands have been simulated by using supercells of increasing size, containing 80, 160, 320, 640, 1280 and 2160 atoms, corresponding to 1, 2, 4, 8, 16 and 27 \(\mathbf {k}\) points in the first Brillouin zone. Phonon band structures, density of states and corresponding inelastic neutron scattering spectra are reported. Full convergence of the various thermodynamic properties, in particular entropy (S) and specific heat at constant volume (\(C_\mathrm{{V}}\)), with the number of \(\mathbf {k}\) points is achieved with 27 \(\mathbf {k}\) points. The very regular behavior of the S(T) and \(C_\mathrm{{V}}(T)\) curves as a function of the number of \(\mathbf {k}\) points, determined by high numerical stability of the code, permits extrapolation to an infinite number of \(\mathbf {k}\) points. The limiting value differs from the 27-\(\mathbf {k}\) case by only 0.40 % at 100 K for S (the difference decreasing to 0.11 % at 1000 K) and by 0.29 % (0.05 % at 1000 K) for \(C_\mathrm{{V}}\). The agreement with the experimental data is rather satisfactory. We also address the problem of the relative entropy of pyrope and grossular, a still debated question. Our lattice dynamical calculations correctly describe the larger entropy of pyrope than grossular by taking into account merely vibrational contributions and without invoking “static disorder” of the Mg ions in dodecahedral sites. However, as the computed entropy difference is found to be larger than the experimental one by a factor of 2–3, present calculations cannot exclude possible thermally induced structural changes, which could lead to further conformational contributions to the entropy.  相似文献   

Integrating agriculture and energy to assess GHG emissions reduction: a methodological approach     

Alessandro Chiodi  Trevor Donnellan  James Breen  Paul Deane  Kevin Hanrahan  Maurizio Gargiulo 《Climate Policy》2016,16(2):215-236

Agriculture is responsible for approximately 25% of anthropogenic global GHG emissions. This significant share highlights the fundamental importance of the agricultural sector in the global GHG emissions reduction challenge. This article develops and tests a methodology for the integration of agricultural and energy systems modelling. The goal of the research is to extend an energy systems modelling approach to agriculture in order to provide richer insights into the dynamics and interactions between the two (e.g. in competition for land-use). We build Agri-TIMES, an agricultural systems module using the TIMES energy systems modelling framework, to model the effect of livestock emissions and explore emissions reduction options. The research focuses on Ireland, which is an interesting test case for two reasons: first, agriculture currently accounts for about 30% of Ireland's GHG emissions, significantly higher than other industrialized countries yet comparable with global levels (here including emissions associated with other land-use change and forestation); second, Ireland is both a complete and reasonably sized agricultural system to act as a test case for this new approach. This article describes the methodology used, the data requirements, and technical assumptions made to facilitate the modelling. It also presents results to illustrate the approach and provide associated initial insights.

Policy relevance

Most of the policy focus with regard to climate mitigation targets has been on reducing energy-related CO₂ emissions, which is understandable as they represent by far the largest source of emissions. Non-energy-related GHG emissions – largely from agriculture, industrial processes, and waste – have received significantly less attention in policy discourse. Going forward, however, if significant cuts are made in energy-related CO₂ emissions, the role of non-energy-related GHG emissions will grow in importance. It is therefore crucial that climate mitigation analyses and strategies are not limited to the energy system. This article shows the value of using integrated energy and agriculture techno-economic modelling techniques to draw evidence for new comprehensive climate policy strategies able to discern between the full range of technical solutions available. It enables the production of economy-wide least-cost climate mitigation pathways.  相似文献   

A multi-disciplinary study of deformation of the basaltic cover over fine-grained valley fills: a case study from Eastern Sardinia,Italy     

Rita Deiana  Iginio Dieni  Francesco Massari  Maria Teresa Perri  Matteo Rossi  Alessandro Brovelli 《International Journal of Earth Sciences》2016,105(4):1245-1255

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A decision tree tool supporting the assessment of groundwater vulnerability     

Christine Stumpp  Anna J. Żurek  Przemysław Wachniew  Alessandro Gargini  Alexandra Gemitzi  Maria Filippini  Stanisław Witczak 《Environmental Earth Sciences》2016,75(13):1057

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Mt. Etna volcano high-resolution topography: airborne LiDAR modelling validated by GPS data     

Marina Bisson  Claudia Spinetti  Marco Neri  Alessandro Bonforte 《International Journal of Digital Earth》2016,9(7):710-732

High-resolution digital topography is essential for land management and planning in any type of territory as well as the reproduction of the Earth surface in a geocoded digital format that allows several Digital Earth applications. In a volcanic environment, Digital Elevation Models are a valid reference for multi-temporal analyses aimed to observe frequent changes of a volcano edifice and for the relative detailed morphological and structural analyses. For the first time, a DTM (Digital Terrain Model) and a DSM (Digital Surface Model) covering the entire Mt. Etna volcano (Italy) derived from the same airborne Light Detection and Ranging (LiDAR) are here presented. More than 250 million 3D LiDAR points have been processed to distinguish ground elements from natural and anthropic features. The end product is the highly accurate representation of Mt. Etna landscape (DSM) and ground topography (DTM) dated 2005. Both models have a high spatial resolution of 2?m and cover an area of 620?km². The DTM has been validated by GPS ground control points. The vertical accuracy has been evaluated, resulting in a root-mean-square-error of ±?0.24?m. The DTM is available as electronic supplement and represents a valid support for various scientific studies.  相似文献   

Sulla localizzazione di un corpo sferico o assimilabile ad una sfera mediante misure eötvössiane (Nota I)     

Alessandro Marcantoni 《Pure and Applied Geophysics》1940,2(1):113-120

Riassunto L'A. si propone di dimostrare come dall'esame dei valori delle derivate eötvössiane, stazione per stazione, si possa presupporre l'esistenza di un corpo sferico perturbante e come per la sua localizzazione e per la determinazione della sua massa una volta soddisfatte certe equazioni di condizione, che egli stabilisce, sia teoricamente sufficiente eseguire con la bilancia due sole stazioni.

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Summary The Author intend to demonstrate that, from the examination of the values of eötvössian derivates it is possible to argue the existence of a perturbating spherical body and that it is theoretical sufficient to execute by means of the balance two stations only, for the localisation and determination of its mass, having once satisfied to some equations of condition that the Author determines.

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Zusammenfassung Der Verf. versucht zu beweisen wie aus den Werten der eötvösschen Abteilungen die Existenz eines sphärischen störenden Körpers wahrnehmen werden kann und wie für seine Ortsbestimmung und Bestimmung seiner Masse theoretisch nur zwei Stationen hinreichen wenn bestimmte Bedingungen zufrieden sind.

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A First Generation Stochastic Bioeconomic Analysis of Algal Bloom Control in a Coastal Lagoon (Sacca di Goro, Po River Delta)     

Giulio Alessandro De  Leo  Marco Bartoli  Mariachiara Naldi  Pierluigi Viaroli 《Marine Ecology》2002,23(S1):92-100

Abstract. In this work we have developed a very simple stochastic mathematical model of Ulva spp. growth to quantitatively evaluate the economic costs of algal harvesting and the related benefits in terms of avoided'economic loss'of clam production due to an effective prevention of algal blooms and the consequent anoxic crises. Algal growth was simulated by means of a discrete time difference equation of Ulva biomass where the finite growth rate depends only upon water temperature. In order to explicitly include environmental variability, a seasonal autoregressive model calibrated on available data was used to simulate water temperature. Different harvesting scenarios were analysed in terms of the number of harvesting vessels employed and the threshold biomass of Ulva at which vessels start to operate. Costs of algal harvesting and disposal, as well as monetary damages resulting from the collapse of clam production as a consequence of algal blooms, were assessed by interviewing the managers of the Clam Fishermen's Union of Goro. A Monte Carlo approach was used to estimate the mean and total statistical distribution of costs and benefits of different harvesting strategies. Our analysis shows that the most cost-effective management policy is attained with 4–6 vessels operating at low algal density able to harvest as much Ulva as possible with intensive and short interventions at the beginning of the seasonal growth.  相似文献   

Crystal size distributions of plagioclase in lavas from the July–August 2001 Mount Etna eruption     

Alessandro Fornaciai  Cristina Perinelli  Pietro Armienti  Massimiliano Favalli 《Bulletin of Volcanology》2015,77(8):1-15

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