Two dimensional ZnO/AlN composites used for photocatalytic water-splitting: a hybrid density functional study.

Using hybrid density functionals, we study the interfacial interactions and electronic properties of ZnO/AlN composites with the consideration of rotation angles and biaxial strains in order to enhance the photocatalytic performance for water-splitting. The different rotated composites, and -2% strained, original, and 2% strained ZnO/AlN composites can be easily prepared owing to the negative interface formation energies. The bandgaps and band alignments of ZnO/AlN composites can be significantly tuned by biaxial strains.

[Habitat suitability evaluation for Angelica dahurica planting in Yanting county,Sichuan province based on GIS].

It is of great significance to analyze habitable suitability of genuine medicinal materials for Chinese herbal medicine planting according to local environment,for medicinal resources protecting and for reasonable planning introduction. Based on GIS technology,the analytic hierarchy process was applied to analyze the spatial differentiation of habitat suitability of Angelica dahurica in Yanting county of Sichuan province. The evaluation combined local geographical environment characteristics and habitat requirements for A.

Widely applicable phosphomolybdic acid doped poly(9-vinylcarbazole) hole transport layer for perovskite light-emitting devices.

In this paper, a cross-linked poly(9-vinylcarbazole) (PVK):phosphomolybdic acid (PMA) layer is used as the hole transport layer in perovskite light-emitting devices, and the morphology, crystal structure, and photophysical properties of perovskite films on the PVK:PMA layer are studied. The addition of PMA into the PVK layer improves the perovskite morphology integrity and promotes hole transport. As a result, perovskite light-emitting devices using a PVK:PMA hole transport layer exhibit an improved maximum luminous efficiency of 22.

Enhancing the performance of perovskite light-emitting devices through 1,3,5-tris(2--phenylbenzimidazolyl)benzene interlayer incorporation.

Interface engineering is important for enhancing the luminance efficiency and stability of perovskite light-emitting devices. In this work, we study the effects of spin-coated 1,3,5-tris(2--phenylbenzimidazolyl)benzene (TPBi) layer incorporation on the crystal structure, morphology, photo-physics, and charge transport characteristics of the underlying MAPbBr layer. Introduction of such a TPBi interlayer effectively reduces defect density and increases radiative recombination in the MAPbBr layer.

The fabrication of an NiMnO nanoflake-modified acupuncture needle electrode for highly sensitive ascorbic acid detection.

The current work describes the use of a steel acupuncture needle as an electrode substrate in order to construct an NiMnO nanoflake layer-modified microneedle sensor for highly sensitive ascorbic acid detection. For the purpose of constructing the functionalized acupuncture needle, first, a carbon film was layered on the needle surface as the seed layer. Subsequently, a straightforward hydrothermal reaction-calcination process was employed for the growth of NiMnO nanoflakes on the needle to function as a sensing interface.

Optimizing electron-rich arylamine derivatives in thiophene-fused derivatives as π bridge-based hole transporting materials for perovskite solar cells.

Based on the observations of thienothiophene derivatives as π-bridged small molecule hole transporting materials (HTMs), adjusting their electron-rich arylamine derivatives is an effective approach to obtain the alternative HTMs for perovskite solar cells (PSCs). In this work, starting from a new electron-rich arylamine derivative and different π-bridged units of thienothiophene derivatives, a series of arylamine derivative-based HTMs were designed, and their properties were investigated using density functional theory combined with the Marcus charge transfer theory. Compared with the parental Z26 material, the designed H01-H04 exhibit appropriate frontier molecular orbitals, good optical properties, better solubility, good stability and higher hole mobilities.

[Cloning and expression analysis of calmodulin gene from Pinellia ternate].

According to the data of Pinellia ternate transcriptome,two calmodulin genes were cloned and named as Pt Ca M1 and PtCa M2 respectively. The results of bioinformatics analysis showed that Pt Ca Ms genes contained a 450 bp open reading frame,encoding149 amino acids.The identity of the coding sequences was 80%,and the identity of amino acids sequence was 91%.

Effects of Mo alloying on stability and diffusion of hydrogen in the NbH phase: a first-principles investigation.

First-principles calculations and the method of climbing-image nudged elastic band were used to investigate the effects of Mo alloying on the structural stability, mechanical properties, and hydrogen-diffusion behavior in the NbH phase. The NbMoH phase (26.5 at% Mo) was found to be the most thermodynamically stable structure, with a low Δ value (-0.

Using magneto-electroluminescence as a fingerprint to identify the spin polarization and spin-orbit coupling of magnetic nanoparticle doped polymer light emitting diodes.

The spin polarization and spin-orbit coupling (SOC) in polymer light emitting diodes (PLEDs) with the active layer doped with FeO nanoparticles (NPs) were identified through magneto-electroluminescence (MEL). By comparing the MEL characteristics such as linewidth and magnitude between PLEDs with and without FeO dopant, we confirmed the existence of spin polarization, but ruled out the existence of SOC. Although the spin polarization is positive to electroluminescence, the brightness-current characteristics suggested that the current efficiency of the doped PLED does not improve.

[Total alkaloids of Coptidis Rhizoma combined with exercise inhibits tumor growth of orthotopically transplanted 4T1 breast cancer mice by blocking cell cycle G_1/S transformation].

Breast cancer is one of the leading causes for cancer-related death among women worldwide. Coptidis Rhizoma has antibacterial,anti-inflammatory,anti-tumor and other pharmacological activities,but whether exercise could synergistically promote the role of RC in the treatment of breast cancer has not been reported. In this experiment,the effects and mechanism of total alkaloids of Coptidis Rhizoma combined with exercise on the tumor growth of orthotopically transplanted 4 T1 breast cancer were systemically studied in mice.

[Changes of EPO in rats with chronic renal failure and low immunity and reversal effects of Yougui Yin and exogenous EPO].

The aim of this paper was to observe the changes of EPO in rats with chronic renal failure and low immunity induced by adenine and to investigate the reversal effect of Yougui Yin(YGY)and exogenous EPO.SD rats were randomly divided into normal control group(n=20)and adenine-model group(n=90).The adenine-model group rats were given with adenine 150 mg·kg~(-1)for 14days by gavage administration,and then randomly divided into 8 groups as follows:model group(n=20),YGY groups(10,20,40 g·kg~(-1),10 in each group),rh EPO group(500,1 000,1 500 IU·kg~(-1),10 in each group),and Guilu Erxian Gao 10 g·kg~(-1)group(positive control group,n=10).

Catalpol improves axonal outgrowth and reinnervation of injured sciatic nerve by activating Akt/mTOR pathway and regulating BDNF and PTEN expression.

: This study aimed to investigate the effects of catalpol on sciatic nerve crush injury (SNCI) and further explore the role of Akt/mTOR pathway in its pharmacological efficacy. : Mice with SNCI in the right were treated with catalpol. Rapamycin was used to block mTOR signal activation.

Synthesis of a MoS -O-PtO Electrocatalyst with High Hydrogen Evolution Activity Using a Sacrificial Counter-Electrode.

Water splitting is considered to be a very promising alternative to greenly produce hydrogen, and the key to optimizing this process is the development of suitable electrocatalysts. Here, a sacrificial-counter-electrode method to synthesize a MoS /carbon nanotubes/Pt catalyst (0.55 wt% Pt loading) is developed, which exhibits a low overpotential of 25 mV at a current density of 10 mA cm, a low Tafel slope of 27 mV dec, and excellent stability under acidic conditions.

Electronic and optical properties of perovskite compounds MA FA PbI X (X = Cl, Br) explored for photovoltaic applications.

As outstanding light harvesters, solution-processable organic-inorganic hybrid perovskites (OIHPs) have been drawing considerable attention thanks to their higher power conversion efficiency (PCE) and cost-effective synthesis relative to other photovoltaic materials. Nevertheless, their further development is severely hindered by the drawbacks of poor stability and rapid degradation in particular. First-principles calculations based on density functional theory (DFT) are hence performed towards the perovskite compounds MA FA PbI X (X = Cl, Br), with the aim of exploring more efficient and stable OIHPs.

Effects of Ga substitution on electronic and thermoelectric properties of gapless semiconductor VAl.

Thermoelectric properties of the antiferromagnetic (AF) gapless semiconductor (GS) VAl were optimized by substituting Al with the isoelectric element Ga in the D0 structure. Structural and mechanical stability, electronic structure and transport properties of VAl Ga ( = 0.25, 0.

Various antibacterial mechanisms of biosynthesized copper oxide nanoparticles against soilborne .

The substantial antimicrobial efficacy of nanoparticles against phytopathogens has been extensively investigated for advanced agricultural applications. However, few reports have focused on soilborne pathogenic bacteria. The aim of this study was to obtain sustainably synthesized copper oxide nanoparticles (CuONPs) using papaya leaf extracts and investigate the bactericidal activity of these CuONPs against , the cause of bacterial wilt, under laboratory and greenhouse conditions.

Tunable luminescence evolution and energy transfer behavior of NaSc(PO):Ce/Tb/Eu phosphors.

A series of color-tunable emitting NaSc(PO):Ce/Tb/Eu (NSPO) phosphors were prepared by a combination of hydrothermal synthesis and low temperature calcination. The phase structure, photoluminescence and energy transfer properties of the samples were studied in detail. The tunable colors were obtained by co-doping the Tb ions into the NSPO:Ce or NSPO:Eu phosphors with varying concentrations.

Separation efficiency maximization in acoustofluidic systems: study of the sample launch-position.

The development of lab-on-chip microfluidic systems based on acoustic actuation, and in particular on the acoustophoretic force, has recently attracted significant attention from the scientific community thanks, in part, to the possibility of sample sorting on the basis of both geometrical and mechanical properties. It is commonly recognized that sample prefocusing and launch-position optimization have a substantial effect on the performance of these systems but a clear explanation of how these two parameters influence the system efficiency is still missing. In this manuscript we discuss the impact of both the sample launch position and the sample distribution at the input by the theoretical analysis of a simplified system and by numerical simulations of realistic configurations.

Room temperature two-photon-pumped random lasers in FAPbBr/polyethylene oxide (PEO) composite perovskite thin film.

Solution-processed organic-inorganic halide lead perovskites have attracted increasing attention due to their great potential in low-cost, effective, and versatile light emission applications and large-scale portable optoelectronic devices. In this paper, formamidinium lead tribromide perovskite thin films composited with polyethylene oxide (PEO) were fabricated by a solution processing method. Great enhancement of photoluminescence was observed and more attractively, two-photon-pumped random lasing action could be achieved at room temperature when pumped by a nanosecond pulse laser with excitation wavelength centered at 1064 nm.

Vegetation pattern formation in seminal systems due to internal competition reaction between plants.

Self-organised patterns of vegetation are a characteristic feature of semi-deserts. In this paper, we find the internal competition reaction between plants can lead to the formation of spatial vegetation patterns, which is different from the normal formation mechanism of long-range competition and short-range facilitation. It is also found that the internal competition between biomass has an effect on the characters of banded vegetation.

Efficient charge separation and visible-light response in bilayer HfS-based van der Waals heterostructures.

Two-dimensional (2D) hafnium disulfide (HfS) has been synthesized and is expected to be a promising candidate for photovoltaic applications, and at the same time the hexagonal BN sheet (h-BN) and graphene-like CN sheet (g-CN) have also been fabricated and are expected to be applied in photocatalysis. In this work, we employ hybrid density functional theory to investigate HfS-based van der Waals (vdW) heterojunctions for highly efficient photovoltaic and photocatalytic applications. HfS/h-BN and HfS/g-CN heterostructures with direct bandgaps and efficient charge separation are both typical type-II semiconductors and have potential as photovoltaic structures for solar power.

A new red fluorophore with aggregation enhanced emission by an unexpected "One-step" protocol.

In this work, a triphenylamine-benzothiadiazole-based new fluorophore is obtained from a facile "one-step" protocol. A possible reduction mechanism is proposed, and an amine containing α-H plays a key role in the reduction reaction. The resultant product A1H2 exhibits bright red emission in solid state, with an absolute quantum yield of 44.

High performance planar p-i-n perovskite solar cells based on a thin Alq cathode buffer layer.

As a thin cathode buffer layer (CBL) tris-(8-hydroxyquinoline), aluminum (Alq) is successfully introduced into the planar p-i-n perovskite solar cells (PSC) between the PCBM layer and cathode with a device structure of ITO/PEDOT:PSS/CHNHPbI(Cl)/PCBM/Alq/Ag. Due to the as-introduced thin Alq CBL, a high performance planar PSC has been achieved with a fill factor (FF) of 72% and maximum power conversion efficiency (PCE) of 14.22%.

84% efficiency improvement in all-inorganic perovskite light-emitting diodes assisted by a phosphorescent material.

A novel mixed perovskite emitter layer is applied to design all-inorganic cesium lead halide perovskite light-emitting diodes (PeLEDs) with high electroluminescence (EL) performance, by combining CsPbBr with iridium(iii)bis[2-(4',6'-difluorophenyl)pyridinato-N,C']-picolinate (FIrpic), where FIrpic is a phosphorescent material with very high internal quantum efficiency (IQE) approaching 100%. The CsPbBr:FIrpic PeLEDs show a maximum luminance of 5486 cd m, and an external quantum efficiency of 0.47%, which are 1.

Pt incorporated mesoporous carbon spheres: controllable structure with enhanced catalytic activity and stability.

We report a simple synthesis process to prepare well-dispersed Pt nanoparticles incorporated in mesoporous carbon spheres. By manipulating the relative ratio of Pt precursor and resorcinol-formaldehyde resin (RF), Pt/carbon composites with different morphologies and Pt content were achieved. The as-prepared Pt/C composite materials show higher catalytic activity and reusability for the reduction of 4-nitrophenol (4-NP) than the Pt deposited commercial activated carbon (Pt/AC), which can be ascribed to the high dispersion of Pt nanoparticles in the carbon spheres.