Resultados totales (Incluyendo duplicados): 35625
Encontrada(s) 3563 página(s)
Encontrada(s) 3563 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355708
Dataset. 2024
SUPPLEMENTARY MATERIALS FOR POLY(VINYL BENZOATE)-B-POLY(DIALLYLDIMETHYL AMMONIUM TFSI)-B-POLY(VINYL BENZOATE) TRIBLOCK COPOLYMER ELECTROLYTES FOR SODIUM BATTERIES [DATASET]
- Stigliano, Pierre L.
- Gallastegui, Antonela
- Villacis Segovia, Carlos
- Amores, Marco
- Kumar, Ajit
- O'Dell, Luke A.
- Fang, Jian
- Mecerreyes, David
- Pozo Gonzalo, Cristina
- Forsyth, Maria
Experimental Section:
Materials:
Sodium bis(fluorosulfonyl)imide (NaFSI) (Solvionic, 99.99% purity was dried at 50 °C on under vacuum overnight and stored in Ar filled glovebox. The polymer electrolyte membranes were prepared as shown in Figure 3, NaFSI and the block copolymer were dissolved in a solvent mixture of tetrahydrofuran (THF) and acetonitrile (ACN). The solution was stirred at RT overnight and then cast on Teflon mold for solvent evaporation. The dry membranes were hot pressed and then dry at RT
under vacuum, before being stored in Ar filled glovebox.
Synthesis of PVB-PDADMTFSI-PVB block copolymers:
The initial step of the synthesis involved synthesizing the double-functionalized chain transfer agent (CTA), known as X-DiEST-X. Diethyl meso-2,5-dibromoadipate (10 g; 27.7 mmol) was dissolved in 250 mL of 96% ethanol (EtOH) at room temperature in a 500 mL round bottom flask. Subsequently, potassium ethyl xanthogenate was added to the solution and stirred for 90 minutes. The reaction took place at room temperature for 4 hours. Upon completion, the resulting potassium bromide salt was filtered, and ethanol was removed under vacuum. The product was then dissolved in dichloromethane (DCM) and washed three times with distilled water. After evaporating the DCM, the product was dried under vacuum for 24 hours.
The second step involved synthesizing the MacroCTA, denoted as X-PAm-DiEst-PAm-X, to achieve water solubility, a crucial property for the polymerization of PDADMACl.
X-DiEst-X (4 g), acrylamide (12.8 g), and radical initiator AIBA (0.098 g) were dissolved in 8 mL of water and 35 mL of ethanol in a 50 mL Schlenk flask. The solution was then deoxygenated using nitrogen for 30 minutes. The reaction proceeded for one hour until a white precipitate formed. The precipitate was subsequently extracted and dried under vacuum at 40 °C overnight. Finally, the product was characterized using 1H-NMR and MALDI-TOF techniques (Figures S1 and S2).
The polymerization process of the PDAMDATFSI block consisted of two stages. The first stage involved synthesizing poly-DADMACl: X-PAm-DiEst-PAm-X (2 g), AIBA (0.088 g), and PDADMACl (15.6 mL, 65 wt% aqueous solution) in a 50 mL Schlenk tube. The mixture was stirred and degassed with nitrogen for 30 minutes. The reactor was then placed in a preheated oil bath set at 60 °C. The final polymer was precipitated using a 1:1 mixture of ethanol and acetone, followed by filtration and vacuum drying at 40 °C. The product was analyzed using 1H-NMR in D2O (Figure S3).
Once the PDADMACl polymer was obtained, an anion exchange was conducted to yield PDADMATFSI. PDADMACl was dissolved in distilled water and slowly added to a solution containing LiTFSI and distilled water under magnetic stirring. The resulting precipitate was then separated from the solvent, dried under vacuum at 40 °C overnight, and subsequently characterized using GPC-SEC (Figure S4). Two chain lengths of PDADMATFSI were investigated in this work: 33K and 17.5K, as shown in Table 1
To obtain the final product, PVB-b-PDADMATFSI-b-PVB triblock copolymers, PDADMATFSI and vinyl benzoate were dissolved in dimethylformamide (DMF) with AIBN as the initiator. The solution was deoxygenated with nitrogen for 30 minutes and then immersed in a preheated oil bath at 65 °C.
After 24 hours of reaction, the final polymer was precipitated in cold ethanol, dried under vacuum at 40 °C for 24 hours, and the structure was characterized through 1H-NMR (Figure S5-8).
MALDI-TOF:
For MALDI-TOF measurements a Bruker Autoflex Speed system (Bruker, Germany) integrated with a Smartbeam-II laser (Nd:YAG, 355nm, 2 kHz) was used, with laser power adjusted during the measurements. The spectrum was acquired in linear mode with an average of 5000 shots. Samples were mixed in MeOH at a concentration of 10 mg/mL. The matrix used was 2,5-DHB, dissolved in MeOH at a concentration of 20 mg/mL. NaTFA was the cation donor (10 mg/mL dissolved in MeOH).
A matrix/polymer/salt solution with 10:5:1 ratio was used and 0.5 μL were hand-spotted on the ground steel target plate.
Gas Permeation Chromatography (GPC):
For GPC a 1200 Infinity gel permeation chromatograph (GPC, Agilent Technologies) integrated with IR detector, a PLgel 5 mm MIXED-D column and a PLgel guard column (Agilent Technologies) was used.
As eluent a 0,1 M LiTFSI/DMF solution was used and flow rate was set at 1.0 mL min-1 at 50 oC. PMMA standards (Agilent Technologies, Mp = 0.55 - 1568 x103) were used to perform calibration.
Differential Scanning Calorimetry (DSC):
Thermal properties of the neat block copolymers and polymer electrolyte membranes were measured by Netzsch DSC (214Polyma). All samples were characterized in the range of -100 and 150 oC, with a heating rate of 40K/min. The second heating is reported.
Fourier Transform Infrared Spectroscopy (FTIR):
The samples were measured by a Perkin Elmer instrument using a single diamond attenuated reflection unit. The spectra were measured in the region from 4000 to 650 cm-1.
Transmission Electron Microscopy (TEM):
Block copolymer films were placed into freshly prepared Procure 812 resin (ProSciTech Kirwan, QLD, C045) for 2 hours under vacuum infiltration at RT. The samples were then removed and put in resin mold (Procure 812 resin) before curing for 3 days at 580C. The resin block was sectioned using a Leica UC7 ultramicrotome to obtain silver interference (~50nm) sections and collected onto EMSFCFTH 400 mesh copper grids (ProSciTech Kirwan, QLD). Samples were imaged using a Tecnai 12 Transmission Electron Microscope (FEI, Eindhoven, The Netherlands), operating voltage of 120 kV. At
all times low dose procedures were followed, using an electron dose of less than 5 electrons/Å2 for all imaging. Images were recorded using a FEI Eagle 4k x 4k CCD camera at a range of magnifications using AnalySIS v3.2 camera control software (Olympus).
Solid State Magic Angle Spin Nuclear Magnetic Resonance Spectroscopy (MAS-NMR):
For NMR spectroscopy, a Bruker Avance III 500 MHz ultra shield wide bore spectrometer was used.
Zirconia MAS NMR rotors (diameter: 1.3 mm) were filled with samples inside Ar filled glovebox.
Spectra were analysed using TopSpin software. Full-width half-maximum (fwhm) values were calculated by fitting the peaks with Gaussian/Lorentzian function.
Ionic Conductivity:
Ionic conductivity was measured using MTZ-35 in the frequency range of 1 Hz to 10 MHz (amplitude of 0.01 V) in the temperature range of 30 and 90 °C. The polymer electrolyte membranes were cut into 12 mm diameter round discs and andwiched between two stainless steel electrodes inside of a coin cell. The coin cell was then put in a custom-built barrel cell. All the spectra were fitted by MTlab software.
Electrochemical Characterization:
TNa + at 70 oC was measured with the Bruce−Vincent method, the equation used for calculation is:
TNa+ = 𝐼s(Δ𝑉 − 𝐼0𝑅i0)/𝐼0(Δ𝑉 − 𝐼s𝑅is)
Where ΔV = applied constant potential, I0 and Is = initial and steady-state currents, respectively, and Rio and Ris = initial and steady state interfacial resistance, respectively.
Na|Na symmetric cell cycling was performed using a coin cell with the electrolyte membrane (thickness 300 μm, diameter 14 mm) sandwiched between 2 Na metal discs (diameter 10 mm). Cells were assembled inside an Ar filled glovebox. Na-metal stripping and plating were studied at different currents using a Biologic VMP3 potentiostat, data were processed with EC-Lab software.
A homemade 2-electrode Swagelok-type cell was employed for Sodium-Air Battery (SAB) testing.
The cell parts were dried at 60 °C overnight and then transferred to an Ar filled glovebox for assembling. The SAB cell was composed of a sodium metal disk (diameter = 12 mm, Sigma Aldrich), the polymer electrolyte membrane (diameter = 12.7 mm) and multi-doped carbon nanofibers air cathode (reported in literature). The surface of the air cathode was wetted with 50 uL of liquid electrolyte (NaTFSI:diglyme:C4mpyrTFSI in mol ratio 1:4:1) to improve contact between air cathode and polymer electrolyte membrane. Once assembled, the cells were taken outside of the Ar filled glovebox and pressurized under pure oxygen (99.99% purity). The cells were left to rest for 8 h at open circuit voltage and 50 oC. Subsequently, a current density of -75 μA cm-2 was applied, with a
cut-off potential of 1.6 V.-- Under a Creative Commons license CC BY 4.0 Deed Attribution 4.0 International, Experimental Section, Figure S1: H-NMR (300 MHz) di funcional CTA X-PAm-DiEst-PAm-X in D2O; Figure S2: MALDI-TOF analysis of X-Pam-DiEst-Pam-X (X-AdA-X); Figure S3: H NMR (300 MHz) of MacroCTA in D2O; Figure S4 H-NMR of PVB11.5K–b–PDADMATFSI33K–b–PVB11.5K; Figure S5 H-NMR of PVB11.5K–b–PDADMATFSI17.5K–b–PVB11.5K; Figure S6 H-NMR of PVB22.5K–b–PDADMATFSI33K–b–PVB22.5K; Figure S7 H-NMR of PVB22.5K–b–PDADMATFSI17.5K–b–PVB22.5K; Table S1: FTIR absorption band positions and assignment for neat PVB-PDADMAT-PVB BCPs; Figure S8: TEM images of BCP BCP-1233 and BCP-2218; Table S2: Sample name and characteristics of the membrane with 2:1 Na:PDADMATFSI mol ratio for all four compositions of neat polymer; Figure S9: TEM images of BCP BCP-1233-Na and BCP-2218-Na; Figure S10: Ratio between integrals of the two coordination peaks observed in 23Na NMR; Figure S11: FTIR spectra of neat BCP and BCP-NaFSI mixtures with a 2:1 Na:PDADMA mol ratio; Figure S12: Galvanostatic cycling of sodium symmetrical cells using BCP-1233-Na at 70 °C; Figure S13: Photo of the membrane after galvanostatic cycling in Na| Na cells showing the formation of large dendrites; Figure S14: SEM images of the surface of BCP-1233-Na and BCP-2218-Na, and EDS layered image zoomed on one of the structures found on the surface of BCP-2218-Na; Figure S15: SEM images of the cross-section of BCP-1233(2); Figure S16: Cell configuration of the home modified Swagelok-type Na-O2 cell used., This project received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No. 860403. The authors acknowledge the Australian Research Council (ARC) for funding through Discovery Programme DP160101178 and the ARC Industry Transformation Training Centre for Future Energy Technologies (storEnergy) for funding under grant agreement No. IC180100049., Peer reviewed
Proyecto: EC/H2020/860403
DOI: http://hdl.handle.net/10261/355708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355708
HANDLE: http://hdl.handle.net/10261/355708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355708
PMID: http://hdl.handle.net/10261/355708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355708
Ver en: http://hdl.handle.net/10261/355708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355854
Dataset. 2023
ASSOCIATION BETWEEN MEDITERRANEAN LIFESTYLE AND PERCEPTION OF WELL-BEING AND DISTRESS IN A SAMPLE POPULATION OF UNIVERSITY ITALIAN STUDENTS. SUPPLEMENTAL MATERIAL
- Quarta, Stefano
- Siculella, Luisa
- Levante, Annalisa
- Carluccio, Maria Annunziata
- Calabriso, Nadia
- Scoditti, Egeria
- Damiano, Fabrizio
- Lecciso, Flavia
- Pinto, Paula
- García-Conesa, María Teresa
- Pollice, Fabio
- Massaro, Marika
We investigated the extent to which adherence to the Mediterranean diet (MD) in combination with Mediterranean lifestyle factors influenced students’ perceptions of subjective well-being (SWB) and distress. 939 undergraduates completed a survey to assess sociodemographic and lifestyle characteristics, including adherence to the MD, depression, anxiety, stress, and SWB. Data were analysed with correlation, logistic, and multiple linear regression models. Higher adherence to MD correlated with better SWB. Fruit, red meat, sweet and caffeinated beverages contributed significantly. However, it was the combination of adherence to MD with other factors, including quality of social relationships, income, smoking, sleep, and physical activity that better predicted SWB. Our results confirm the positive influence of MD on SWB. However, they also suggest the need to consider perceptions of well-being by a more holistic approach that considers physical and social factors simultaneously to improve the development of more effective educational and motivational programmes, Materials and Methods: Study Design and Ethics Sample population description Statistical methods Table 1. Participants’ sociodemographic characteristics, lifestyle habits, and health status Table 2. Participants’ dietary preferences and eating habits. Table 3. Distribution of additional food and drink preferences of the students sample population with regards to the MD adherence classification Table 4: Correlations between sociodemographic factors, health status and lifestyle with adherence to MD Table 5. Multiple linear regression model to assess the relationship between stress, anxiety, depression, Mediterranean diet adherence, sociodemographic and lifestyle factors Table 6. Correlations between food choices and SWB, Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355854
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355854
HANDLE: http://hdl.handle.net/10261/355854
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355854
PMID: http://hdl.handle.net/10261/355854
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355854
Ver en: http://hdl.handle.net/10261/355854
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355854
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355862
Dataset. 2024
3D HABITAT SUITABILITY MAPS OF THE 30 MAIN COMMERCIAL FISH SPECIES FROM THE ATLANTIC OCEAN
- Valle, Mireia
- Ramírez-Romero, Eduardo
- Ibaibarriaga, Leire
- Citores, Leire
- Fernandes-Salvador, Jose A.
- Chust, Guillem
3-D habitat suitability maps (HSM) or probability of occurrence maps, built using Shape-Constrained Generalized Additive Models (SC-GAMs) for the 30 main commercial species of the Atlantic region. Predictor variables for each species were selected from: sea water temperature, salinity, nitrate, net primary productivity, distance to seafloor, distance to coast, and relative position to mixed layer depth. Each species HSM contains 47 maps, one per depth level from 0 to 1000 m. Probability values of each map range from 0 (unsuitable habitat) to 1 (optimal habitat). For depth levels below the 0.99 quantile of the depth values found on the species occurrence data, NA values were assigned. Maps have been masked to species native range regions. See Valle et al. (2024) in Ecological Modelling 490:110632 (https://doi.org/10.1016/j.ecolmodel.2024.110632), for more details., Peer reviewed
Proyecto: //
DOI: dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256" target="_blank">https://marineinfo.org/id/dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355862
HANDLE: dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256" target="_blank">https://marineinfo.org/id/dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355862
PMID: dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256" target="_blank">https://marineinfo.org/id/dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355862
Ver en: dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256" target="_blank">https://marineinfo.org/id/dataset/8057, http://hdl.handle.net/10261/355862, https://doi.org/10.20350/digitalCSIC/16256
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355862
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355894
Dataset. 2024
SUPPORTING INFORMATION FOR: ASSESSMENT OF THE MARTINI 3 PERFORMANCE FOR SHORT PEPTIDE SELF-ASSEMBLY
- Sasselli, Ivan R.
- Coluzza, Ivan
Additional structures from Screening Steps 0 and 3; RDF of the backbone beads; average tube fraction and AP of all of the systems in Step 3; energetic terms of the different FF parametrizations; temperature differences analysis; and AP of the other dipeptides and tripeptides in the higher concentration system., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355894
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355894
HANDLE: http://hdl.handle.net/10261/355894
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355894
PMID: http://hdl.handle.net/10261/355894
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355894
Ver en: http://hdl.handle.net/10261/355894
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355894
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355899
Dataset. 2024
SUPPORTING INFORMATION. BEYOND THE MESO/MACROPOROUS BOUNDARY: EXTENDING CAPILLARY CONDENSATION-BASED PORE SIZE CHARACTERIZATION IN THIN FILMS THROUGH TAILORED ADSORPTIVES
- Füredi, Máté
- Manzano, Cristina V.
- Marton, András
- Fodor, Bálint
- Alvarez-Fernandez, Alberto
- Guldin, Stefan
Detailed sample preparation procedures, physicochemical properties of adsorptives, schematic of capillary evaporation process in nanopores, top-view FE-SEM micrographs, measured and generated spectroscopic ellipsometric parameters, refractive index values of samples, effective refractive index calculation, measured ellipsometric parameter shifts recorded during nonane adsorption on all samples, preadsorbed liquid multilayer calculations, and thickness–relative pressure relationships of adsorbed multilayers., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355899
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355899
HANDLE: http://hdl.handle.net/10261/355899
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355899
PMID: http://hdl.handle.net/10261/355899
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355899
Ver en: http://hdl.handle.net/10261/355899
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355899
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355904
Dataset. 2022
DC-EPG RAW DATA ON EUROPEAN SPITTLEBUGS AND SHARPSHOOTERS FEEDING BEHAVIOUR ON GRAPEVINE
- Markheiser, Anna
- Santoiemma, Giacomo
- Fereres, Alberto
- Kugler, Sanela
- Maixner, Michael
- Cornara, Daniele
The Direct Current-Electrical Penetration Graph (DC-EPG) technique was used to compare and describe the feeding behaviour on grapevine of four xylem sap-feeding species considered candidate vectors of X. fastidiosa and widespread in Europe: the meadow spittlebug Philaenus spumarius, the spittlebug Neophilaenus campestris, the rhododendron leafhopper Graphocephala fennahi and the green leafhopper Cicadella viridis. The four species were settled on potted grapevine plants for a period of 6 hours and the feeding activities performed by these insects, from stylet insertion into the plant to withdrawal were recorded by DC-EPG coupled with Stylet+d software. Characteristic waveforms were marked with Stylet+a software and analysed by the macro XylFeed. The raw data of the sequential and non-sequential EPG parameters generated by the XylFeed are reported in this database as part of the connected publication., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355904
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355904
HANDLE: http://hdl.handle.net/10261/355904
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355904
PMID: http://hdl.handle.net/10261/355904
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355904
Ver en: http://hdl.handle.net/10261/355904
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355904
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355925
Dataset. 2023
DATA_SHEET_1_ENVIRONMENTAL FACTORS AND HOST GENOTYPE CONTROL FOLIAR EPIPHYTIC MICROBIAL COMMUNITY OF WILD SOYBEANS ACROSS CHINA.DOC
- Zhou, Rui
- Duan, Gui-Lan
- García-Palacios, Pablo
- Yang, Guang
- Cui, Hui-Ling
- Yan, Ming
- Yin, Yue
- Yi, Xing-Yun
- Li, Lv
- Delgado-Baquerizo, Manuel
- Zhu, Yong-Guan
Additional file contains: Figure S1-S7 and Table S1-S6., [Introduction] The microbiome inhabiting plant leaves is critical for plant health and productivity. Wild soybean (Glycine soja), which originated in China, is the progenitor of cultivated soybean (Glycine max). So far, the community structure and assembly mechanism of phyllosphere microbial community on G. soja were poorly understood., [Methods] Here, we combined a national-scale survey with high-throughput sequencing and microsatellite data to evaluate the contribution of host genotype vs. climate in explaining the foliar microbiome of G. soja, and the core foliar microbiota of G. soja were identified., [Results] Our findings revealed that both the host genotype and environmental factors (i.e., geographic location and climatic conditions) were important factors regulating foliar community assembly of G. soja. Host genotypes explained 0.4% and 3.6% variations of the foliar bacterial and fungal community composition, respectively, while environmental factors explained 25.8% and 19.9% variations, respectively. We further identified a core microbiome thriving on the foliage of all G. soja populations, including bacterial (dominated by Methylobacterium-Methylorubrum, Pantoea, Quadrisphaera, Pseudomonas, and Sphingomonas) and fungal (dominated by Cladosporium, Alternaria, and Penicillium) taxa., [Conclusion] Our study revealed the significant role of host genetic distance as a driver of the foliar microbiome of the wild progenitor of soya, as well as the effects of climatic changes on foliar microbiomes. These findings would increase our knowledge of assembly mechanisms in the phyllosphere of wild soybeans and suggest the potential to manage the phyllosphere of soya plantations by plant breeding and selecting specific genotypes under climate change., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355925
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355925
HANDLE: http://hdl.handle.net/10261/355925
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355925
PMID: http://hdl.handle.net/10261/355925
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355925
Ver en: http://hdl.handle.net/10261/355925
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355925
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355944
Dataset. 2024
SUPPLEMENTARY INFORMATION FOR PUBLICATION: CATION DYNAMICS AS STRUCTURE EXPLORER IN HYBRID PEROVSKITES – THE CASE OF MAPBI3
- Drużbick, Kacper
- Gila-Herranz, Pablo
- Marin-Villa, Pelayo
- Gaboardi, Mattia
- Armstrong, Jeff
- Fernández-Alonso, Félix
Experimental and computational details; additional computational results; possible cation rotations considered within the initial data set; benchmark of regular k-point grid used in DFT calculations; theoretical INS spectra; structural transformation upon symmetrization of selected structural models; phonon band structure; results of NpT AIMD simulations; schematic representation of rotational angles describing cation orientations; close contacts and structural distortions in the representative models., IKUR-PVP-1 data set., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/355944
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355944
HANDLE: http://hdl.handle.net/10261/355944
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355944
PMID: http://hdl.handle.net/10261/355944
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355944
Ver en: http://hdl.handle.net/10261/355944
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/355944
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356005
Dataset. 2024
SUPPORTING INFO FOR “CHEMICAL BONDING INDUCES ONE DIMENSIONAL PHYSICS IN BULK CRYSTAL BIIR4SE8”
- Pollak, Connor J.
- Skorupskii, Grigorii
- Gutierrez-Amigo, Martin
- Singha, Ratnadwip
- Stiles, Joseph W.
- Kamm, Franziska
- Pielnhofer, Florian
- Ong, N. P.
- Errea, Ion
- Vergniory, Maia G.
- Schoop, Leslie M.
Crystallographic model information, band structure calculations, single-crystal diffraction precession images, and property measurements (Raman spectroscopy, X-ray photoemission spectroscopy, heat capacity)., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/356005
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356005
HANDLE: http://hdl.handle.net/10261/356005
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356005
PMID: http://hdl.handle.net/10261/356005
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356005
Ver en: http://hdl.handle.net/10261/356005
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356005
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356057
Dataset. 2024
SUPPLEMENTARY MATERIAL. GOLD NANOCLUSTERS SYNTHESIZED WITHIN SINGLE-CHAIN NANOPARTICLES AS CATALYTIC NANOREACTORS IN WATER
- Pinacho-Olaciregui, Jokin
- Verde-Sesto, Ester
- Taton, Daniel
- Pomposo, José A.
Figures S1–S5: Calibration curves for determination of the UV-Vis molar extinction coefficient of 4-nitrophenol, 4-aminophenol, nitrobenzene, cis-azobenzene and aniline; Figure S6: Apparent kinetic constant (kapp) of the reduction of nitrobenzene to aniline catalyzed by Au-NCs/SCNPs; Figures S7–S9: Calibration curves for determination of the UV-Vis molar extinction coefficient of 3-(4-nitrophenyl)-1,3-oxazolidin-2-one, (Z)-3,3′-(diazene-1,2-diylbis(4,1-phenylene))bis(oxazolidin-2-one) and 3-(4-aminophenyl)-1,3-oxazolidin-2-one; Figures S10–S13: 1H MNR spectra after isolation via preparative TCL of cis-azobenzene, aniline, (Z)-3,3′-(diazene-1,2-diylbis(4,1-phenylene))bis(oxazolidin-2-one) and 3-(4-aminophenyl)-1,3-oxazolidin-2-one., Peer reviewed
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DOI: http://hdl.handle.net/10261/356057
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356057
HANDLE: http://hdl.handle.net/10261/356057
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356057
PMID: http://hdl.handle.net/10261/356057
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356057
Ver en: http://hdl.handle.net/10261/356057
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/356057
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