Redetermination of the crystal structures of rare-earth trirhodium diboride RERh3B2 (RE = Pr, Nd and Sm) from single-crystal X-ray data

The crystal structures of the rare-earth (RE) trirhodium diborides praseodymium trirhodium diboride, PrRh3B2, neodymium trirhodium diboride, NdRh3B2, and samarium trirhodium diboride, SmRh3B2, were refined on the basis of single-crystal X-ray diffraction data. The crystal chemistry of RERh3B2 (RE: Pr, Nd, and Sm) compounds has previously been analyzed mainly on the basis of powder samples [Ku et al. (1980). Solid State Commun. 35, 91–96], and no structural investigation by single-crystal X-ray diffraction has been reported so far. The crystal structures of the three hexagonal RERh3B2 compounds are isotypic with that of CeRh3B2; RE, Rh and B sites are situated on special positions with site symmetry 6/mmm (Wyckoff position 1a), mmm (3g) and \overline{6}m2 (2c), respectively. In comparison with the previous powder X-ray study of hexagonal RERh3B2, the present redetermination against single-crystal X-ray data has allowed for the modeling of all atoms with anisotropic displacement parameters (ADPs). The ADPs of the Rh atom in each of the structures result in an elongated displacement ellipsoid in the direction of the stacking of the Rh kagomé-type layer. The features of obtained ADPs of atoms are discussed in relation to RERh3B2-type and analogous structures.

Benefits of Low Electron-Affinity Material as the N-Type Layer for Cu(In,Ga)S2 Solar Cell

Despite the potential in single- and multi-junction solar cells application, research into the wide band gap CuIn1−xGax(Se1−ySy)2 or CIG(SSe)2 solar cell material, with Eg≥1.5eV, has yet to be extensively performed to date. In this work, we conducted a numerical study into the role of the n-type layers in CIG(SSe)2 heterojunction solar cells, specifically concerning the maximum open-circuit voltage of the devices. In the first part of the study, we derived a new ideal open-circuit voltage equation for a thin-film heterojunction solar cell by taking into account the current contribution from the depletion region. The accuracy of the new equation was validated through a simulation model in the second part of the study. Another simulation model was also used to clarify the design rules of the n-type layer in a wide band gap CIG(SSe)2 solar cell. Our work stressed the importance of a positive conduction band offset on the n-/p-type interface, through the use of a low electron affinity n-type material for a solar cell with a high open-circuit voltage . Through a precise selection of the window layer material, a buffer-free CIG(SSe)2 design is sufficient to fulfill such conditions. We also proposed the specific roles of the n-type layer, i.e., as a passivation layer and selective electron contact, in the operation of CIGS2 solar cells.

Arylenevinylene Oligomer-Based Heterostructures on Flexible AZO Electrodes

We investigated the optical and electrical properties of flexible single and bi-layer organic heterostructures prepared by vacuum evaporation with a p-type layer of arylenevinylene oligomers, based on carbazole, 3,3′ bis(N hexylcarbazole)vinylbenzene = L13, or triphenylamine, 1,4 bis [4 (N,N’ diphenylamino)phenylvinyl] benzene = L78, and an n-type layer of 5,10,15,20-tetra(4-pyrydil)21H,23H-porphyne = TPyP. Transparent conductor films of Al-doped ZnO (AZO) with high transparency, >90% for wavelengths >400 nm, and low resistivity, between 6.9 × 10−4 Ωcm and 23 × 10−4 Ωcm, were deposited by pulsed laser deposition on flexible substrates of polyethylene terephthalate (PET). The properties of the heterostructures based on oligomers and zinc phthalocyanine (ZnPc) were compared, emphasizing the effect of the surface morphology. The measurements revealed a good absorption in the visible range of the PET/AZO/arylenevinylene oligomer/TPyP heterostructures and a typical injection contact behavior with linear (ZnPc, L78) or non-linear (L13) J-V characteristics in the dark, at voltages <0.4 V. The heterostructure PET/AZO/L78/TPyP/Al showed a current density of ~1 mA/cm2 at a voltage of 0.3 V. The correlation between the roughness exponent, evaluated from the height-height correlation function, grain shape, and electrical behavior was analyzed. Consequently, the oligomer based on triphenylamine could be a promising replacement of donor ZnPc in flexible electronic applications.

Electronic Sensing Platform (ESP) Based on Open-Gate Junction Field-Effect Transistor (OG-JFET) for Life Science Applications: Design, Modeling and Experimental Results

This paper presents a new field-effect sensor called open-gate junction gate field-effect transistor (OG-JFET) for biosensing applications. The OG-JFET consists of a p-type channel on top of an n-type layer in which the p-type serves as the sensing conductive layer between two ohmic contacted sources and drain electrodes. The structure is novel as it is based on a junction field-effect transistor with a subtle difference in that the top gate (n-type contact) has been removed to open the space for introducing the biomaterial and solution. The channel can be controlled through a back gate, enabling the sensor’s operation without a bulky electrode inside the solution. In this research, in order to demonstrate the sensor’s functionality for chemical and biosensing, we tested OG-JFET with varying pH solutions, cell adhesion (human oral neutrophils), human exhalation, and DNA molecules. Moreover, the sensor was simulated with COMSOL Multiphysics to gain insight into the sensor operation and its ion-sensitive capability. The complete simulation procedures and the physics of pH modeling is presented here, being numerically solved in COMSOL Multiphysics software. The outcome of the current study puts forward OG-JFET as a new platform for biosensing applications.

Influence of Te layer on CdTe thin films and their performance on CdS/CdTe solar cells

CdTe semiconductor is an absorbent material used in “tandem” photovoltaic solar cells. This material is commonly deposited by thermal evaporation presenting electrical resistivity values about of 105 W·cm to 109 W·cm. CdTe is applied in thin solar cells as p-type layer which is in contact with metal back electrode in solar cells. In the CdTe/metal junction a Schottky barrier exits; and small number of charge carriers have enough energy to get over the barrier and cross to the metal back contact. To solve part of this problem, nanostructured Te thin films were used as intermediate layers between CdTe and metal contact. Te layers whit different physical properties were deposited on CdS/CdTe structure by thermal evaporation employing different growth parameters. The electrical parameters of CdTe solar cells were influenced by p+ Te regions. p+ Te regions used as intermediate layer with large deposition time increases the FF and VOC values from 30% to 60% and 560 mV to 730 mV respectively. Also, the electrical resistivity is reduced from 106 W·cm to 103 W·cm. In this sense, Te region implemented as nanostructure allows to reduce the series resistance from 99 W to 20 W and increases the shunt resistance from 1445 W to 4424 W; Te region as thin films demonstrated not be adequate.

Proton Migration on the Boron Sheets Surface

Borophene is a two-dimensional allotrope of boron and it is also known as boron sheet. First it has been predicted theoretically in the mid-1990s, experimentally borophene was confirmed in 2015 when the structure was successfully synthesized in 2015. One of the key features of borophene is its strong anisotropy – the dependence of mechanical and electrical properties on direction. This phenomenon is not typical for 2D materials and has never been observed in 2D metals before. Borophene has the highest tensile strength of all known two-dimensional materials. In early works, it was found that the adsorption of a hydrogen atom on the surface of borophene is possible and the analyses of electronic density showed that atom H became a proton. Therefore, in this work, the authors have studied the proton migration over the surface of boron sheets of two types and have found the most energetically favorable path of proton motion. The electron-energy characteristics of the process of migration of a single proton along the surface of boron layers of two types are determined and it is established that in all the considered cases the proton is able to move along the surface almost barrier-free. The type of conductivity of pure boron layers and layers modified by a single proton is determined. In the A-type boron layer, the proton increases the band gap by 0.04 eV, and in the B-type layer, the band gap changes by 0.05 eV. It is proved that two-dimensional boron nanostructures can be considered as a new class of boron topological structure with proton conductivity.

Polytypism of Compounds with the General Formula Cs{Al2[TP6O20]} (T = B, Al): OD (Order-Disorder) Description, Topological Features, and DFT-Calculations

The crystal structures of compounds with the general formula Cs{[6]Al2[[4]TP6O20]} (where T = Al, B) display order−disorder (OD) character and can be described using the same OD groupoid family. Their structures are built up by two kinds of nonpolar layers, with the layer symmetries Pc(n)2 (L2n+1-type) and Pc(a)m (L2n-type) (category IV). Layers of both types (L2n and L2n+1) alternate along the b direction and have common translation vectors a and c (a ~ 10.0 Å, c ~ 12.0 Å). All ordered polytypes as well as disordered structures can be obtained using the following partial symmetry operators that may be active in the L2n type layer: the 21 screw axis parallel to c [– – 21] or inversion centers and the 21 screw axis parallel to a [21 – –]. Different sequences of operators active in the L2n type layer ([– – 21] screw axes or inversion centers and [21 – –] screw axes) define the formation of multilayered structures with the increased b parameter, which are considered as non-MDO polytypes. The microporous heteropolyhedral MT-frameworks are suitable for the migration of small cations such as Li+, Na+ Ag+. Compounds with the general formula Rb{[6]M3+[[4]T3+P6O20]} (M = Al, Ga; T = Al, Ga) are based on heteropolyhedral MT-frameworks with the same stoichiometry as in Cs{[6]Al2[[4]TP6O20]} (where T = Al, B). It was found that all the frameworks have common natural tilings, which indicate the close relationships of the two families of compounds. The conclusions are supported by the DFT calculation data.