26 research outputs found
“Caracterización de los sistemas de producción de ovinos de pelo en el suroeste del departamento de Matagalpa 2010”
Con el objetivo de caracterizar los sistemas de producción de ovinos de pelo en el territorio suroeste del departamento de Matagalpa 2010. (Sébaco, Ciudad Darío, San Isidro y Matagalpa). Se aplicó una encuesta a 103 productores que poseen ovinos de pelo, la muestra se definió aleatoriamente utilizando la ecuación planteada por Scheaffer (1987), se utilizó la técnica de muestreo de bola de nieve, planteada por Frey et al (2000). Esta investigación permitió conocer las debilidades y oportunidades en los sistemas de explotación de esta especie promisoria para la zona seca del país. Con los resultados obtenidos de las encuestas se procedió ha elaborar una base de datos en el programa SPSS versión 11.5 en español. Encontrando un predominio del sexo femenino como titulares de las explotaciones ovinas, 58.3% cursó educación primaria, el 98% de las explotaciones cuentan con raza pelibuey, el 100% de las explotaciones realizan destete y monta de forma natural, una media de mortalidad de corderos de 1, alimentan a las ovejas con potrero sin división (81.6%), se suministra pasto de corte, pastoreo, leguminosas y se suplementa sal común 49.5%, aplican vacunas contra ántrax y pierna negra (63.1%), desparasitaciones internas y externas (66%), ambos con una frecuencia de 2 veces al año, en el manejo productivo no se lleva control en la actividad ovina (100%), los equipo e instalaciones son rústicas, los corrales ovinos el son elaborados con alambre y/o madera, techado con plástico y/o zinc (49.51%), en cuanto a asistencia técnica el 58.3% ha recibid
Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO<sub>2</sub>(101) Surface: A Density Functional Theory Investigation
We
examined the possibility of the presence of isothiocyanate (NCS)
group anchor for Ru dye adsorption to anatase TiO<sub>2</sub>(101)
surface in typical dye-sensitized solar cells (DSCs), motivated by
the recent X-ray photoelectron spectroscopy (XPS) experimental observations
of the NCS anchors. A variety of adsorption configurations were examined
with model molecules of CH<sub>3</sub>NCS by density functional theory
(DFT) calculations. To compare with the experimental XPS spectra,
we also calculated core–electron binding energies using (TiO<sub>2</sub>)<sub>38</sub> cluster model. We demonstrated that 0.6–0.7
eV of the observed chemical shift in the S 2p XPS spectra can be assigned
to the S interactions with the surface Ti atom and O vacancy, while
8.8 eV shift in the S 1s level is connected to the S–Ti vacancy
interaction. On the other hand, it is also confirmed that the adsorption
energies of COOH group and acetonitrile solvent molecule are usually
larger than that for the NCS group. Therefore, the Ru dye adsorption
through the NCS anchor is less probable even on the surface in vacuum
and further decreases in the solution environment. With these results,
we conclude that the NCS group anchoring is possible in the vacuum
environment as shown by the XPS studies, while it will be negligible
on the working electrode of the solar cell
Termination Dependence of Tetragonal CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Surfaces for Perovskite Solar Cells
We investigated the termination dependence
of structural stability
and electronic states of the representative (110), (001), (100), and
(101) surfaces of tetragonal CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> (MAPbI<sub>3</sub>), the main component of a perovskite solar cell
(PSC), by density functional theory calculations. By examining various
types of PbI<sub><i>x</i></sub> polyhedron terminations,
we found that a vacant termination is more stable than flat termination
on all of the surfaces, under thermodynamic equilibrium conditions
of bulk MAPbI<sub>3</sub>. More interestingly, both terminations can
coexist especially on the more probable (110) and (001) surfaces.
The electronic structures of the stable vacant and PbI<sub>2</sub>-rich flat terminations on these two surfaces largely maintain the
characteristics of bulk MAPbI<sub>3</sub> without midgap states. Thus,
these surfaces can contribute to the long carrier lifetime actually
observed for the PSCs. Furthermore, the shallow surface states on
the (110) and (001) flat terminations can be efficient intermediates
of hole transfer. Consequently, the formation of the flat terminations
under the PbI<sub>2</sub>-rich condition will be beneficial for the
improvement of PSC performance
First-Principles Study of Electron Injection and Defects at the TiO<sub>2</sub>/CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Interface of Perovskite Solar Cells
We investigated electron
injection rates and vacancy defect properties
by performing first-principles calculations on the interface of an
anatase-TiO<sub>2</sub>(001) and a tetragonal CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>(110) (MAPbI<sub>3</sub>(110)). We found that
the coupling matrix element between the lowest unoccupied molecular
orbital of MAPbI<sub>3</sub> and the TiO<sub>2</sub> conduction band
(CB) minimum is negligibly small, the indication being that electron-injection
times for low-energy excited states are quite long (more than several
tens of picoseconds). We also found that higher-lying CB states coupled
more strongly; injection was expected to take place on a femtosecond
time scale. Furthermore, we found that vacancy defects in the TiO<sub>2</sub> layer produced undesired defect levels that caused hole traps
and recombination centers. Whereas most of the vacancy defects in
the MAPbI<sub>3</sub> layer produced no additional states in the MAPbI<sub>3</sub> gap, a Pb vacancy (V<sub>Pb</sub>) at the interface created
an energy level below the MAPbI<sub>3</sub> CB edge and had a lower
energy of formation than the V<sub>Pb</sub> defect in bulk because
of the interaction with the TiO<sub>2</sub> surface
Space–Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery
We theoretically elucidated the characteristics
of the space–charge
layer (SCL) at interfaces between oxide cathode and sulfide electrolyte
in all-solid-state lithium-ion batteries (ASS-LIBs) and the effect
of the buffer layer interposition, for the first time, via the calculations
with density functional theory (DFT) + U framework. As a most representative
system, we examined the interfaces between LiCoO<sub>2</sub> cathode
and β-Li<sub>3</sub>PS<sub>4</sub> solid electrolyte (LCO/LPS),
and the LiCoO<sub>2</sub>/LiNbO<sub>3</sub>/β-Li<sub>3</sub>PS<sub>4</sub> (LCO/LNO/LPS) interfaces with the LiNbO<sub>3</sub> buffer layers. The DFT+U calculations, coupling with a systematic
procedure for interface matching, showed the stable structures and
the electronic states of the interfaces. The LCO/LPS interface has
attractive Li adsorption sites and rather disordered structure, whereas
the interposition of the LNO buffer layers forms smooth interfaces
without Li adsorption sites for both LCO and LPS sides. The calculated
energies of the Li-vacancy formation and the Li migration reveal that
subsurface Li in the LPS side can begin to transfer at the under-voltage
condition in the LCO/LPS interface, which suggests the SCL growth
at the beginning of charging, leading to the interfacial resistance.
The LNO interposition suppresses this growth of SCL and provides smooth
Li transport paths free from the possible bottlenecks. These aspects
on the atomic scale will give a useful perspective for the further
improvement of the ASS-LIB performance
Panchromatic Donor–Acceptor–Donor Conjugated Oligomers for Dye-Sensitized Solar Cell Applications
We
report on a sexithienyl and two donor–acceptor−donor oligothiophenes, employing
benzothiadiazole and isoindigo as electron-acceptors, each functionalized
with a phosphonic acid group for anchoring onto TiO<sub>2</sub> substrates
as light-harvesting molecules for dye sensitized solar cells (DSSCs).
These dyes absorb light to wavelengths as long as 700 nm, as their
optical HOMO/LUMO energy gaps are reduced from 2.40 to 1.77 eV with
increasing acceptor strength. The oligomers were adsorbed onto mesoporous
TiO<sub>2</sub> films on fluorine doped tin oxide (FTO)/glass substrates
and incorporated into DSSCs, which show AM1.5 power conversion efficiencies
(PCEs) ranging between 2.6% and 6.4%. This work demonstrates that
the donor–acceptor–donor (D-A-D) molecular structures
coupled to phosphonic acid anchoring groups, which have not been used
in DSSCs, can lead to high PCEs
Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO<sub>2</sub> Anatase Interface
We investigated stable structures
and photoexcitation character of Ru N749 dye (black dye (BD)) adsorption
to TiO<sub>2</sub> anatase (101) interface immersed in bulk acetonitrile
(AN) solution, a most representative electrode interface in dye-sensitized
solar cells (DSCs). Density-functional-theory-based molecular dynamics
(DFT-MD) with explicit solvent molecules was used to take into account
the fluctuations of solvation shells and adsorbed molecules. We demonstrated
that BD adsorption via deprotonated carboxylate two anchors (d2) is
the most stable at the interface, while the one protonated carboxyl
anchor (p1) has the average energy only slightly higher than the d2.
This indicates that the p1 state can still coexist with the d2 under
equilibrium. It is in contrast with the calculated large stability
of the p1 in vacuo. Inhomogeneous charge distribution and anchor fluctuation
enhanced by AN solution causes this d2 stabilization. The calculated
projected densities of states and the photoabsorption spectra clearly
show that the d2 state has larger driving force of the electron injection
into the TiO<sub>2</sub>, whereas the photoabsorption in the wavelength
region over 800 nm, a characteristic of BD sensitizer, is mainly
attributed to the p1 state even in the AN solution. Consequently,
the better performance of BD DSC can be understood in terms of the
cosensitizer framework of the d2 and p1 states
Constructing High-Efficiency D–A−π–A-Featured Solar Cell Sensitizers: a Promising Building Block of 2,3-Diphenylquinoxaline for Antiaggregation and Photostability
Controlling the sensitizer morphology
on a nanocrystalline TiO<sub>2</sub> surface is beneficial to facilitating
electron injection and suppressing charge recombination. Given that
the grafted alkyl chain on a π-bridge thiophene segment for
preventing π aggregation can deteriorate its intrinsic photostability,
we incorporate a promising building block of 2,3-diphenylquinoxaline
as the additional acceptor to construct a novel D–A−π–A-featured
dye <b>IQ</b><sub><b>4</b></sub>, which exhibits several
characteristics: (i) efficiently decreasing the molecular HOMO–LUMO
energy gap by extending its absorption bands; (ii) showing a moderate
electron-withdrawing capability for an ideal balance in both promising
photocurrent and photovoltage; (iii) endowing an ideal morphology
control with strong capability of restraining the intermolecular aggregation
and facilitating the formation of a compact sensitizer layer via two
twisted phenyl groups grafted onto the quinoxaline unit. The coadsorbent-free
dye-sensitized solar cell (DSSC) based on dye <b>IQ</b><sub><b>4</b></sub> exhibits very promising conversion efficiency
as high as 9.24 ± 0.05%, with a short-circuit current density
(<i>J</i><sub>sc</sub>) of 17.55 mA cm<sup>–2</sup>, an open-circuit voltage (<i>V</i><sub>oc</sub>) of 0.74
V, and a fill factor (FF) of 0.71 under AM 1.5 illumination (100 mW
cm<sup>–2</sup>). <b>IQ</b><sub><b>4</b></sub>-based
DSSC devices with an ionic liquid electrolyte can keep constant performance
during a 1000 h aging test under 1 sun at 60 °C. Because of spatial
restriction, the two phenyl groups grafted onto the additional electron-withdrawing
quinoxaline are demonstrated as efficient building blocks, not only
improving its photostability and thermal stability but also allowing
it to be a successful antiaggregation functional unit. As a consequence,
the incorporated 2,3-diphenylquinoxaline unit can realize a facile
structural modification for constructing organic coadsorbent-free
D–A−π–A-featured sensitizers, thus paving
a way to replace the common, stability-deleterious grafted alkyl chain
on the thienyl bridge
Consecutive Morphology Controlling Operations for Highly Reproducible Mesostructured Perovskite Solar Cells
Perovskite solar cells have shown
high photovoltaic performance
but suffer from low reproducibility, which is mainly caused by low
uniformity of the active perovskite layer in the devices. The nonuniform
perovskites further limit the fabrication of large size solar cells.
In this work, we control the morphology of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> on a mesoporous TiO<sub>2</sub> substrate by employing
consecutive antisolvent dripping and solvent-vapor fumigation during
spin coating of the precursor solution. The solvent-vapor treatment
is found to enhance the perovskite pore filling and increase the uniformity
of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> in the porous scaffold
layer but slightly decrease the uniformity of the perovskite capping
layer. An additional antisolvent dripping is employed to recover the
uniform perovskite capping layer. Such consecutive morphology controlling
operations lead to highly uniform perovskite in both porous and capping
layers. By using the optimized perovskite deposition procedure, the
reproducibility of mesostructured solar cells was greatly improved
such that a total of 40 devices showed an average efficiency of 15.3%
with a very small standard deviation of 0.32. Moreover, a high efficiency
of 14.9% was achieved on a large-size cell with a working area of
1.02 cm<sup>2</sup>
Tuning the Photovoltaic Performance of Benzocarbazole-Based Sensitizers for Dye-Sensitized Solar Cells: A Joint Experimental and Theoretical Study of the Influence of π‑Spacers
Tuning
the parameters to enhance the efficiencies of a novel set
of metal free sensitizers for dye sensitized solar cells (DSSC) is
carried out by varying the π-conjugated spacers that link the
donor benzocarbazole to the acceptor cyanoacrylic acid. The molecules
are synthesized by different combinations of spacers, namely fluorene-thiophene
(BFT), fluorene-furan (BFF), fluorene-phenyl (BFB), and thiophene-phenyl
(BTB). The molar extinction coefficients of all the dyes are high
which is attributed to benzocarbazole, but it is higher in the dyes
in which fluorene is one of the spacers. But interestingly, in the
photovoltaic device when the non-fluorene dye BTB is the sensitizer,
red-shifted and broader incident photon-to-current efficiency (IPCE)
curves are obtained leading to larger short circuit current density, <i>J</i><sub>sc</sub>, almost double when compared to BFB-based
cell. The efficiency of the device with this dye as the sensitizer
is also the highest in this series. The reasons behind these observations
are investigated using computational techniques