Enhancing hydrogen evolution of MoS2 basal planes by combining single-boron catalyst and compressive strain

MoS₂ is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS₂ basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS₂ suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS₂ can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔG_H (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS₂ and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS₂), weakening the adsorption energy of hydrogen on B@MoS₂. Moreover, we constructed a SiN/B@MoS₂ heterojunction, which introduces an 8.6% compressive stress for B@MoS₂ and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS₂.     

Natural logarithm wavelength modulation spectroscopy

Natural logarithm wavelength modulation spectroscopy(ln-WMS) is demonstrated in this Letter. Unlike the conventional wavelength modulation spectroscopy(WMS)-2 f technique, it is a linear method even for large absorbance, which is the core advantage of ln-WMS. The treating method used in ln-WMS is to take the natural logarithm of the transmitted intensity. In order to determine the proper demodulation phase, the η-seeking algorithm is introduced, which minimizes the absolute value of the first harmonic within the non-absorbing region. Subsequently, the second harmonic of the absorption signal is extracted by setting the demodulating phase as 2η. To illustrate the validity of ln-WMS, it was applied to water vapor experimentally. The result shows that even if the absorbance(base-e) is between 1.60 and 6.26, the linearity between ln-WMS-2 f and volume fraction is still established. For comparison, measurement with conventional WMS-2 f was also done, whose response no longer kept linearity. The η values retrieved in continuous measurements and the residuals were shown so as to evaluate the performance of the η-seeking algorithm. Time consumed by this algorithm was roughly 0.28 s per measurement. As an alternative WMS strategy, ln-WMS has a wide range of potential applications, especially where the absorbance is large or varies over a wide area.     

Mechanistic Studies on Propargyl Alcohol-Tethered Alkylidenecyclopropane with Aryldiazonium Salt Initiated by Visible Light

This paper discloses the reaction mechanism of two consecutive but different visible light photo-induced chain processes for the rapid construction of spirobi[indene]skeletons.The first process is triggered by a photo-induced single-electron-transfer(SET)of an electron donor-accepter(EDA)complex.The second process is initiated by a direct SET process between aryldiazonium salt and the excited allenic intermediate.In these two processes,another SET took place respectively on the in situ formed radical intermediate to realize a redox-neutral outcome.The mechanistic studies have been carried out by control experiments,kinetic and spectroscopic analyses,deuterium labeling experiments to support these two chain processes.     

球幕投影光学系统的设计与研究

设计了一种飞行训练使用的球幕投影仪光学系统.系统焦距为5.5mm, 相对孔径为1/4,全视场角175°,光谱范围为可见光波段,采用了3组10片的反远距型结构.与普通投影系统不同之处在于,该系统在保证大视场的前提下有效地减小了场曲对像质的影响.给出了球幕结构对场曲影响的定量分析以及较为方便的屏幕半径选择方法.因全部采用国产玻璃而同时满足了国产化的要求.     

Blue electroluminescent materials based on indeno[1,2-a]arene derivatives for Organic Light-Emitting Diodes

Abstract

In this study, as a continuous effort for searching efficient blue-emitting materials, we designed and synthesized materials based on indeno[1,2-a]arene. OLED devices using these materials were fabricated in the following sequence; ITO (180?nm)/N,N'-diphenyl-N,N'-(2-napthyl)-(1,1'-phenyl)-4,4'-diamine (NPB) (50?nm)/emitting materials (30?nm)/4,7-diphenyl-1,10-phenanthroline (Bphen) (30?nm)/Liq/Al (2/100?nm). Particularly, a device using 7,7-dimethyl-7H-indeno[1,2-a]pyrene as emitter showed maximum values of luminous efficiency, power efficiency, and external quantum efficiency of 1.10?cd/A, 0.49?lm/W, 1.47% at 20?mA/cm², respectively with CIE (x,y) coordinates of (0.15, 0.08) at 6.0V.     

Syntheses,crystal structures and properties of Cd(II) and Ag(I) complexes based on 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole

Abstract

Complexes of [CdL₂(NO₃)₂]·1.5H₂O and [Ag₂(μ-L)₂(NO₃)₂] were synthesized by the reactions of 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole (L) with Cd(NO₃)₂·4H₂O and AgNO₃, respectively. Their structures were determined by single crystal X-ray diffraction. The photophysical property and thermal stability were characterized by FT???IR, UV???Vis absorption, fluorescence, and thermogravimetric analysis (TGA). Both complexes belong to the triclinic system with space group p???1. The central metal of [CdL₂(NO₃)₂]·1.5H₂O has a distorted octahedral geometry [CdN₄O₂], while two central Ag(I) atoms of [Ag₂(μ-L)₂(NO₃)₂] exhibit distorted tetrahedral geometries [AgN₃O].     

Distributed finite-time coordinated tracking control for multiple Euler–Lagrange systems with input nonlinearity

Nonlinear Dynamics - In this paper, distributed finite-time coordinated tracking control for multiple Euler–Lagrange systems with input nonlinearity is investigated by using backstepping...     

Stress Relaxation Behaviors of Monocrystalline Silicon Coated with Amorphous SiO2 Film:A Molecular Dynamics Study

Long-lasting constant loading commonly exists in silicon-based microelectronic con-tact,as well as the chemical mechanical polishing area.In this work,the stres...     

Molecular beacons with oxidized bases report on substrate specificity of DNA oxoguanine glycosylases

DNA glycosylase enzymes recognize and remove structurally distinct modified forms of DNA bases, thereby repairing genomic DNA from chemically induced damage or erasing epigenetic marks. However, these enzymes are often promiscuous, and advanced tools are needed to evaluate and engineer their substrate specificity. Thus, in the present study, we developed a new strategy to rapidly profile the substrate specificity of 8-oxoguanine glycosylases, which cleave biologically relevant oxidized forms of guanine. We monitored the enzymatic excision of fluorophore-labeled oligonucleotides containing synthetic modifications 8-oxoG and FapyG, or G. Using this molecular beacon approach, we identified several hOGG1 mutants with higher specificity for FapyG than 8-oxoG. This approach and the newly synthesized probes will be useful for the characterization of glycosylase substrate specificity and damage excision mechanisms, as well as for evaluating engineered enzymes with altered reactivities.

A three-color fluorescent molecular beacon assay for rapid profiling of substrate specificity of hOGG1 variants, and for engineering proteins to map genomic modifications.