Open-circuit voltage deficit in Cu2ZnSnS4 solar cells by interface bandgap narrowing

There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the opencircuit voltage deficit. Our hybrid density functional theory calculations suggest that electron-hole recombination at the Cu2ZnSnS4/CdS interface is caused by a deeper conduction band that slows electron extraction. In contrast, the bandgap is not narrowed for the Cu2ZnSnSe4/CdS interface, consistent with a lower open-circuit voltage deficit

An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation

We present an ab initio study of the rovibronic spectra of sulphur monoxide (32S16O) using internally contracted multireference configuration interaction (ic-MRCI) method and aug-cc-pV5Z basis sets. It covers 13 electronic states X3Σ-, a1Δ, b1Σ+, c1Σ-, A''3Σ+, A'3Δ, A3Π, B3Σ-, C3Π, d1Π, e1Π, C'3Π, and (3)1Π ranging up to 66 800 cm-1. The ab initio spectroscopic model includes 13 potential energy curves, 23 dipole and transition dipole moment curves, 23 spin-orbit curves, and 14 electronic angular momentum curves. A diabatic representation is built by removing the avoided crossings between the spatially degenerate pairs C3Π-C'3Π and e1Π-(3)1Π through a property-based diabatisation method. We also present non-adiabatic couplings and diabatic couplings for these avoided crossing systems. All phases for our coupling curves are defined, and consistent, providing the first fully reproducible spectroscopic model of SO covering the wavelength range longer than 147 nm. Finally, an ab initio rovibronic spectrum of SO is computed

Chemically encoded self-organized quantum chain supracrystals with exceptional charge and ion transport properties

Artificially grown superstructures from small building blocks is an intriguing subject in ‘bottom-up’ molecular science and nanotechnology. Although discrete nanoparticles with different morphologies and physicochemical properties are readily produced, assembly them into higher-order structure amenable to practical applications is still a considerable challenge. This report introduces a stepwise heterogeneous approach for coupling colloidal quantum dots (QDs) synthesis with self-organization to directly generate quantum chains (QCs). By using vulcanized sulfur precursors, QDs are interdigitated into microscale chainlike supracrystals associated with oleylamine and oleic acid as structure directing agents. The cooperative nature of the QD growth and assembly have been extended to fabricate binary (PbS) and ternary metal chalcogenides (CuInS2) QC superstructures over a range of length scales. In addition, enhanced ion and charge transfer performance have been demonstrated which are determined to originate from the minimum interparticle distance and nearly bare nanocrystal surface. The process reported here is general and can be readily extended to the production of many other metal chalcogenide QD superstructures for energy storage applications

Empirical likelihood estimation of the spatial quantile regression

The spatial quantile regression model is a useful and flexible model for analysis of empirical problems with spatial dimension. This paper introduces an alternative estimator for this model. The properties of the proposed estimator are discussed in a comparative perspective with regard to the other available estimators. Simulation evidence on the small sample properties of the proposed estimator is provided. The proposed estimator is feasible and preferable when the model contains multiple spatial weighting matrices. Furthermore, a version of the proposed estimator based on the exponentially tilted empirical likelihood could be beneficial if model misspecification is suspect

Al-TiH2 Composite Foams Magnesium Alloy

The work presented here in describes the synthesis of aluminum based titanium-hydride particulate composite by casting method and its foaming behavior of magnesium alloy. Results obtained indicate that the Al-10TiH(2) composite can be synthesized successfully by casting method. Further, results also reveal that closed-cell magnesium alloy foam can be synthesized by using Al-10TiH(2) composite as a foaming agent.111Ysciescopu

Generalized Bayesian Record Linkage and Regression with Exact Error Propagation

Record linkage (de-duplication or entity resolution) is the process of merging noisy databases to remove duplicate entities. While record linkage removes duplicate entities from such databases, the downstream task is any inferential, predictive, or post-linkage task on the linked data. One goal of the downstream task is obtaining a larger reference data set, allowing one to perform more accurate statistical analyses. In addition, there is inherent record linkage uncertainty passed to the downstream task. Motivated by the above, we propose a generalized Bayesian record linkage method and consider multiple regression analysis as the downstream task. Records are linked via a random partition model, which allows for a wide class to be considered. In addition, we jointly model the record linkage and downstream task, which allows one to account for the record linkage uncertainty exactly. Moreover, one is able to generate a feedback propagation mechanism of the information from the proposed Bayesian record linkage model into the downstream task. This feedback effect is essential to eliminate potential biases that can jeopardize resulting downstream task. We apply our methodology to multiple linear regression, and illustrate empirically that the "feedback effect" is able to improve the performance of record linkage.Comment: 18 pages, 5 figure

Growth of quantum dot coated core-shell anisotropic nanowires for improved thermal and electronic transport

Anisotropic nanowires are promising candidates for electronic thermal management due to their unique electrical and thermal properties.However, eco-friendly solution-processed nanomaterials with an elaborate morphology and microstructure for modulating thermal andcharge transfer are still a considerable challenge. Herein, we present a simple but effective approach for synthesizing pseudo core-shell nano-wires through quantum dot (QD)-like nanostructure coating (p-NW@QD) to generate exceptional electron-phonon transport properties.With the assistance of diphenyl ether as a coordination solvent, high crystallinity lead sulfide NWs can be fabricated with a large aspect ratiotogether with uniform QD coating. Thisp-NW@QD exhibits high electronic mobility (30.65 cm2/Vs) as well as a diameter independent lowthermal conductivity (1.5361 W/m K). Direct charge/heat carrier flow measurements and computational simulations demonstrate that theunusual electrical and thermal transport phenomenon is strongly dependent on the fast charge transport through the QD shell, and a slowphonon migration across the Umklapp process dominated NW cores. These findings indicate a significant step toward colloidal synthesisnanostructures for future high-performance nanoelectronics and thermal energy devices

Red green blue emissive lead sulfide quantum dots: heterogeneous synthesis and applications.

Visible emission colloidal quantum dots (QDs) have shown promise in optical and optoelectronic applications. These QDs are typically composed of relatively expensive elements in the form of indium, cadmium, and gallium since alternative candidate materials exhibiting similar properties are yet to be realized. Herein, for the first time, we report red green blue (RGB) photoluminescences with quantum yields of 18% from earth-abundant lead sulfide (PbS) QDs. The visible emissive property is mainly attributed to a high degree of crystallinity even for the extremely small QD sizes (1-3 nm), which is realized by employing a heterogeneous reaction methodology at high growth temperatures (>170 °C). We demonstrate that the proposed heterogeneous synthetic method can be extended to the synthesis of other metal chalcogenide QDs, such as zinc sulfide and zinc selenide, which are promising for future industrial applications. More importantly, benefiting from the enlarged band gaps, the as-prepared PbS solar cells show an impressive open circuit voltage (∼0.8 V) beyond that reported to date

Scaling Laws in Human Language

Zipf's law on word frequency is observed in English, French, Spanish, Italian, and so on, yet it does not hold for Chinese, Japanese or Korean characters. A model for writing process is proposed to explain the above difference, which takes into account the effects of finite vocabulary size. Experiments, simulations and analytical solution agree well with each other. The results show that the frequency distribution follows a power law with exponent being equal to 1, at which the corresponding Zipf's exponent diverges. Actually, the distribution obeys exponential form in the Zipf's plot. Deviating from the Heaps' law, the number of distinct words grows with the text length in three stages: It grows linearly in the beginning, then turns to a logarithmical form, and eventually saturates. This work refines previous understanding about Zipf's law and Heaps' law in language systems.Comment: 6 pages, 4 figure