Surface deterioration dependent on the crystal facets of spinel LiNi_(0.5)Mn_(1.5)O_(4) cathode active material

The spinel LiNi_(0.5)Mn_(1.5)O_(4)(LNMO)cathode active materials(CAMs)are considered a promising alternative to commercially available cathodes such as layered and polyanion oxide cathodes,primarily due to their notable safety and high energy density,particularly in their single-crystal type.Nevertheless,the industrial application of the LNMO CAMs is severely inhibited due to the interfacial deterioration and corrosion under proton-rich and high-voltage conditions.This study successfully designed and synthesized two typical types of crystal facets-exposed single-crystal LNMO CAMs.By tracking the electrochemical deterioration and chemical corrosion evolution,this study elucidates the surface degradation mechanisms and intrinsic instability of the LNMO,contingent upon their crystal facets.The(111)facet,due to its elevated surface energy,is found to be more susceptible to external attack compared to the(100)and(110)facets.Our study highlights the electrochemical corrosion stability of crystal plane engineering for spinel LNMO CAMs.

Ag2-xO with highly exposed{111}crystal facets for efficient electrochemical oxygen evolution:Activity and mechanism

A series of Ag2–xO/FTO-i electrodes(where i denotes the current density during the electrodeposition, and i = 0.5, 1, 2, 3, 4, or 7) was fabricated in 0.1 M K2B4O7 electrolyte containing Ag+ ions by galvanostatic electrocrystallization. The electrode composition and morphology were characterized using X-ray powder diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy. The results reveal that the electrode films consist of Ag2O, but some of the Ag+ ions on the {111} crystal facets are oxidized into Ag2+ ions. Furthermore, the Ag2–xO/FTO-1 electrode shows a triangular slice shape of a parallel matrix with a larger exposed area of {111} crystal facets than other Ag2–xO/FTO-i(i = 0.5, 2, 3, 4, or 7) electrodes. Electrocatalytic experiments prove that the Ag2–xO/FTO-1 electrode produces the highest oxidative current density, has an overpotential of 417 m V at 10 m A cm–2, and has a Tafel slope of 47 m V dec–1 in 0.1 M K2B4O7. Electrochemical impedance spectra indicate that Ag2–xO/FTO-1 electrodes have the best ability for charge transfer. In addition, in the I-t test over 10 h, the current density decreased 4%. Fortunately, both O–O and Ag2+ species were detected after electrocatalysis and a possible mechanism for the oxygen evolution reaction is proposed in which the formation of Ag2+ and O–O species on {111} facets plays a critical role.

FACETS软件用于评价临床护理操作考核成绩的可行性研究

目的探讨将多面Rasch测量分析软件FACETS应用于临床护理考核成绩分析中的可行性。方法以成人心肺复苏操作考核为标准,以6名护士长为考核人员,采用多面Rasch测量分析软件FACETS对护生30人的考核成绩进行分析,以评定考核人员评分的宽严程度和自身一致性。结果考核人员评分宽严程度Logit值-1.53～2.01,自身一致性Infit值0.82～1.32,Ontfit值0.44～1.28。宽严度与自身一致性存在一定的差异。结论多面Rasch测量分析软件FACETS可作为临床护理考核成绩分析的有效工具。

MID-FACETS OF A SIMPLEX

The mid-facet of a simplex in n-dimensional Euclidean space which was introduced quite recently is an important geometric element. An analytic expression for the mid-facet area of a simplex is firstly given. In order to obtain the expression,the exterior differential method was presented. Furthermore, the properties of the mid-facets of a simplex analogous to median lines of a triangle (such as for all mid-facets of a simplex,there exists another simplex such that its edge-lengths equal to these mid-facets area respectively, and all of the mid-facets of a simplex have a common point) were proved. Finally, by applying the analytic expression, a number of inequalities which combine edge-lengths, circumradius, median line, bisection area and facet area with the mid-facet area for a simplex were established.

多面Rasch模型分析软件Facets在英语测试中的应用研究

文章描述了多面Rasch模型的原理,并就其分析软件Facets在国内外英语测试中的研究现状做了评述;然后,通过实例重点讲述了如何运用Facets软件进行实验设计、编写分析语句、运行程序,以及如何从考生面、评分者面、评分标准面等对其产生的图表进行了解读。

基于FACET滤波加权局部对比度的红外小目标检测

针对低空复杂背景下红外图像中目标与背景对比度低、边缘高亮的问题,提出一种基于FACET滤波加权局部对比度的红外小目标检测算法。首先,通过FACET滤波运算获取目标候选像素;然后,利用目标区域和背景区域灰度差异的比率计算局部对比度,同时基于目标和背景的异质性设计了一种加权函数,用来增强目标显著性和抑制背景;最后,通过自适应阈值分割提取真实的目标。在5组真实红外小目标图像数据集上与不同的算法进行性能比较分析,实验结果表明,提出的算法在不同低空复杂场景中具有较好的检测性能。

Prolonging charge-separation states by doping lanthanide-ions into {001}/{101} facets-coexposed TiO_(2) nanosheets for enhancing photocatalytic H_(2) evolution

Ultrathin TiO_(2)nanosheets with coexposed{001}/{101}facets have attracted considerable attention because of their high photocatalytic activity.However,the charge-separated states in the TiO_(2)nanosheets must be extended to further enhance their photocatalytic activity for H_(2)evolution.Herein,we present a successful attempt to selectively dope lanthanide ions into the{101}facets of ultrathin TiO_(2)nanosheets with coexposed{001}/{101}facets through a facile one-step solvothermal method.The lanthanide doping slightly extended the light-harvesting region and markedly improved the charge-separated states of the TiO_(2)nanosheets as evidenced by UV-vis absorption and steady-state/transient photoluminescence spectra.Upon simulated sunlight irradiation,we observed a 4.2-fold enhancement in the photocatalytic H_(2)evolution activity of optimal Yb^(3+)-doped TiO_(2)nanosheets compared to that of their undoped counterparts.Furthermore,when Pt nanoparticles were used as cocatalysts to reduce the H_(2)overpotential in this system,the photocatalytic activity enhancement factor increased to 8.5.By combining these results with those of control experiments,we confirmed that the extended charge-separated states play the main role in the enhancement of the photocatalytic H_(2)evolution activity of lanthanide-doped TiO_(2)nanosheets with coexposed{001}/{101}facets.

Photocatalytic Activity of Hierarchical Flower-Like TiO_(2) Superstructures with Dominant {001} Facets

The fabrication of well defined hierarchical structures of anatase TiO_(2) with a high percentage of reactive facets is of great importance and challenging.Hierarchically flower-like TiO_(2) superstructures(HFTS)self-assembled from anatase TiO_(2) nanosheets with exposed{001}facets(up to 87%)were synthesized by a simple alcohothermal strategy in a HF-H_(2)O-C_(2)H_(5)OH mixed solution using titanate nanotubes as precursor.The samples were characterized by X-ray diffraction,scanning electron microscopy,transmission electron microscopy,and N2 adsorption-desorption isotherms.The photocatalytic activity was evaluated by the photocatalytic oxidation decomposition of acetone in air and methyl orange in aqueous solution under UV illumination.The photocatalytic activity of HFTS was much higher than that of commercial Degussa P25 and tabular-shaped anatase TiO_(2) obtained using pure water as the synthesis medium.The enhancement in photocatalytic activity was related to several factors,including the hierarchically porous structure,exposed{001}facets,and increased light harvesting ability.The HFTS was also of interest for use in solar cells,photocatalytic H_(2) production,optoelectronic devices,sensors,and catalysis.

H_(2)S在Cr(111)面上吸附与解离的第一性原理研究

采用了第一性原理研究了H_(2)S在Cr(111)面的吸附解离过程,利用吸附能、吸附构型和偏态密度图(PDOS)研究了H_(2)S及其解离产物在Cr(111)面上的吸附情况,都偏向倾斜吸附在Cr(111)面.同时研究了HS/H和S/H共吸附情况,得到共吸附物质在Cr(111)面上有明显的相互作用.最后使用线性同步和二次同步变换方法确定了解离反应的过渡态,了解到第一、二步解离的活化能分别为1.65 eV、0.82 eV,H_(2)S分子在Cr(111)面上的解离过程是放热反应,反应能为-2.90 eV.

Lithium storage performance of {010}-faceted and [111]-faceted anatase TiO2 nanocrystals

As a popular anode material for lithium-ion batteries,anatase TiO2 nanoparticles with exposed{001}facets usually exhibit exceptional lithium storage performance owing to more accessible sites and fast migration of lithium ions along the good crystalline channels.However,there are few researches on the lithium storage capability of TiO2 nanocrystals with other high-energy facets owing to lack of effective synthesis method for controlling crystal facets.Herein,anatase TiO2 nanocrystals with exposed{010}-and[111]-facets are successfully prepared by using the delaminated tetratitanate nanoribbons as precursors.The electrochemical properties of these TiO2 nanocrystals with high-energy surfaces and the comparison with commercial TiO2 nanoparticles(P25)are studied.It is found that the cycle and rate performance of TiO2 nanocrystals is highly improved by reducing the particle size of nanocrystals.Moreover,TiO2 nanocrystals with exposed{010}-and[111]-facets exhibit better lithium storage capacities in comparison with P25 without a specific facet though P25 has smaller particle size than these TiO2 nanocrystals,indicating that the exposed facets of TiO2 nanocrystals have an important impact on their lithium storage capacity.Therefore,the synthesis design of high-performance TiO2 materials applied in the next-generation secondary batteries should both consider the particle size and the exposed facets of nanocrystals.

One-step synthesized SO_4^(2-)-TiO_2 with exposed(001) facets and its application in selective catalytic reduction of NO by NH_3

A sample of sulfated anatase TiO2 with high‐energy(001)facets(TiO2‐001)was prepared by a simple one‐step hydrothermal route using SO42-as a morphology‐controlling agent.After doping ceria,Ce/TiO2‐001 was used as the catalyst for selective catalytic reduction(SCR)of NO with NH3.Compared with Ce/P25(Degussa P25 TiO2)and Ce/P25‐S(sulfated P25)catalysts,Ce/TiO2‐001 was more suitable for medium‐and high‐temperature SCR of NO due to the high surface area,sulfation,and the excellent properties of the active‐energy(001)facets.All of these facilitated the generation of abundant acidity,chemisorbed oxygen,and activated NOx‐adsorption species,which were the important factors for the SCR reaction.

In-situ decoration of metallic Bi on BiOBr with exposed(110)facets and surface oxygen vacancy for enhanced solar light photocatalytic degradation of gaseous n-hexane

Photocatalytic degradation of gaseous pollutants on Bi-based semiconductors under solar lightirradiation has attracted significant attention.However,their application in gaseous straight-chainalkane purification is still rare.Here,a series of Bi/BiOBr composites were solvothermally synthe-sized and applied in solar-light-driven photocatalytic degradation of gaseous n-hexane.The charac-terization results revealed that both increasing number of functional groups of alcohol solvent(from methanol and ethylene glycol to glycerol)and solvothermal temperature(from 160 and 180to 200℃)facilitated the in-situ formation of metallic Bi nanospheres on BiOBr nanoplates withexposed(110)facets.Meanwhile,chemical bonding between Bi and BiOBr was observed on theseexposed facets that resulted in the formation of surface oxygen vacancy.Furthermore,the synergis-tic effect of optimum surface oxygen vacancy on exposed(110)facets led to a high visible light re-sponse,narrow band gap,great photocurrent,low recombination rate of the charge carriers,andstrong·O2-and h*formation,all of which resulted in the highest removal efficiency of 97.4%within120 min of 15 ppmv of n-hexane on Bi/BiOBr.Our findings efficiently broaden the application ofBi-based photocatalysis technology in the purification of gaseous straight-chain pollutants emittedby the petrochemical industry.

多面Rasch模型FACETS分析软件的控制数据文件生成与应用研究

多面Rasch模型(MFRM)是Rasch单参数模型的延伸,对于检测不同测量层面一致性差异具有很好的支持作用。本文聚焦于运用多面测量模型的分析软件FACETS,重点阐述如何利用TXT数据文件和Excel数据文件生成控制数据文件的方法步骤。力求通过详细的过程介绍并配合图文说明,使学习者对Facets控制数据文件生成有更加清晰的认识,为后续应用Rasch模型开展数据分析奠定基础。

Synthesis and Optimization of TiO_(2)/Graphene with Exposed {001} Facets Based on Response Surface Methodology and Evaluation of Enhanced Photocatalytic Activity

Response surface methodology(RSM)was employed to optimize the control parameters of TiO_(2)/graphene with exposed{001}facets during synthesis,and its enhanced photocatalytic activities were evaluated in the photodegradation of toluene.Experimental results were in good agreement with the predicted results obtained using RSM with a correlation coefficient(R^(2))of 0.9345.When 22.06 mg of graphite oxide(GO)and 2.09 mL of hydrofluoric acid(HF)were added and a hydrothermal time of 28 h was used,a maximum efficiency in the degradation of toluene was achieved.X-ray diffraction(XRD),transmission electron microscopy(TEM),and scanning electron microscopy(SEM)were employed to characterize the obtained hybrid photocatalyst.The electron transferred between Ti and C retarded the combination of electron–hole pairs and hastened the transferring of electrons,which enhanced the photocatalytic activity.

Multiple facets of poly(ADP-ribose) polymerase-1 in neurological diseases

The highly conserved abundant nuclear protein poly （ADP-ribose） polymerase-1 （PARP-1） is activated by DNA damage. PARP-1 activation is associated in DNA repair, cell death and inflammation. Since oxidative stress induced robust DNA damage and wide spread inflamma- tory responses are common pathologies of various CNS diseases, the attention towards PARP-1 as a therapeutic target has been amplifying. This review highlights the multiple roles of PARP- 1 in neurological diseases and po- tential of PARP- 1 inhibitors to enter clinical translation.

OH^(*)对Ni(111)上甲烷部分氧化成CO影响的理论计算

为促进我国能源结构转型和缓解能源短缺压力,将储量丰富的天然气(甲烷)部分氧化成合成气具有重要的现实意义。该过程常用的催化剂为Ni基催化剂,其存在易积炭失活的问题。深入研究Ni基催化剂表面的催化机理有助于解决该问题。基于密度泛函理论的第一性原理计算方法,确定了甲烷部分氧化中相关物种在Ni(111)上最有利的吸附构型,并通过二聚体方法搜索了反应过程中各基元反应的过渡态,分析了Ni(111)上甲烷部分氧化生成CO的整个过程。结果表明,CH^(*)在Ni(111)上的吸附能为6.98 eV,CH2^(*)脱氢生成CH^(*)的活化能为0.28 eV,远低于CH^(*)脱氢的活化能(1.29 eV),说明CH^(*)可在Ni表面大量存在,并且其变化可影响整个反应途径。在甲烷部分氧化生成CO的整个过程中,OH^(*)氧化CH^(*)生成CO^(*)时的活化能为1.48 eV,较C^(*)被O^(*)直接氧化生成CO的活化能(1.59 eV)低0.11 eV,因此形成OH^(*)更有利于CO的生成。在CH^(*)被OH^(*)氧化生成CO^(*)的过程中,经历了CHOH^(*)→COH^(*)→CO^(*)的转化过程,整个转化过程的活化能为0.91 eV;而CHOH^(*)→CHO^(*)→CO^(*)的转化过程的活化能为0.73 eV,因此CHOH^(*)更倾向于脱氢生成CHO^(*)进而生成CO^(*),甲烷部分氧化生成CO^(*)的最佳反应路径为CH_4^(*)→CH_3^(*)→CH_(2)^(*)→CH^(*)+OH^(*)→CHOH^(*)→CHO^(*)→CO^(*)。

Investigating the relationships between facets of work task and selection and query-related behavior

Purpose: This study aims to explore the relationships between different facets of work task and selection and query-related behavior.Design/methodology/approach:An experiment was conducted to explore the issue. The researcher recruited 24 participants and assigned six simulated work task situations to each of them. Each experiment lasted around 2 hours and was recorded by the software tool Morae.Findings: Time(frequency) and time(length) are more closely related to user’s selection and query-related behavior compared to the facet ‘process’ of work task. Knowledge level of work task topic, degree of work task difficulty, and subjective work task complexity are significantly correlated with selection and query-related behavior. Work task difficulty and work task complexity are different concepts. Subjective work task complexity, work task difficulty, and knowledge of work task topic are significantly correlated with user’s selection and query-related behavior.Research limitations/implications: The limitations of this study include a small sample size,limited work task situations, and possible spurious relationships. This study has implications in informing task-based information seeking/search/retrieval research and interactive information retrieval(IIR) systems design.Originality/values: Previous studies usually did not touch upon how different facets of work tasks affected interactive activities. Some studies examining task complexity and information behavior were concerned with how work tasks affect users’ behavior at information-seeking level, rather than at information search level. This study makes contribution to interactive information retrieval,task-based information search and retrieval, and personalization of IR.

Synthesis of S-doped Sb_2O_3 Visible Light-driven Photocatalyst and Its Facets-dependent Performance for the Degradation of Methyl Orange

S-doped Sb_2O_3 nanocrystals were synthesized using SbCl3 and thioacetamide（TAA） as starting materials by a hydrothermal method and the effects of TAA dosage on the composition and properties of resultant nanocrystals were determined.Their photocatalytic performance was evaluated using the degradation of methyl orange（MO） as a model reaction.The results suggest that TAA dosage can affect the preferential growth direction of Sb_2O_3,and further influences its photocatalytic activity.S doping can extend the optical absorption edge of Sb_2O_3 to the visible light religion,and thus endows its ability to photocatalyze the degradation of MO under visible light illumination.Based on these results,the correlations between the photocatalytic activity of S-doped Sb_2O_3 and the ratio between exposed facets,specific surface area and crystallographic defects were discussed.

Surface Modification of (001) Facets Dominated TiO2 with Ozone for Adsorption and Photocatalytic Degradation of Gaseous Toluene

This study investigated the positive effect of surface modification with ozone on the photocatalytic performance of anatase TiO2 with dominated（001） facets for toluene degradation.The performance of photocatalyst was tested on a home-made volatile organic compounds degradation system. The ozone modification, toluene adsorption and degradation mechanism were established by a combination of various characterization methods, in situ diffuse reflectance infrared fourier transform spectroscopy, and density functional theory calculation.The surface modification with ozone can significantly enhance the photocatalytic degradation performance for toluene. The abundant unsaturated coordinated 5 c-Ti sites on（001）facets act as the adsorption sites for ozone. The formed Ti–O bonds reacted with H2O to generate a large amount of isolated Ti5 c-OH which act as the adsorption sites for toluene,and thus significantly increase the adsorption capacity for toluene. The outstanding photocatalytic performance of ozone-modified TiO2 is due to its high adsorption ability for toluene and the abundant surface hydroxyl groups, which produce very reactive OH·radicals under irradiation. Furthermore, the O2 generated via ozone dissociation could combine with the photogenerated electrons to form superoxide radicals which are also conductive to the toluene degradation.

Noncarious Cervical Lesions: Correlation between Abfraction and Wear Facets in Permanent Dentition

Non-carious cervical lesions (NCCLs) are defined as the loss of dental hard tissue at the cement-enamel junction. Erosion, abrasion, and attrition have been associated with this disorder. Objective: Recently, occlusal stress causing of cervical enamel cracks (abfraction) has been considered as an additional etiology for NCCLs to facilitate the erosion and abrasion mechanisms in tooth wear. Study Design: The prevalence of NNCLs and wear facets in a population with permanent dentition in absence of any clear etiological factors related to erosion and abrasion causes is evaluated. A total 295 subjects are enrolled for this study and divided into four age groups (subjects aged 15 - 27 years, 28 - 42 years, 43 - 57 years and 58 - 75 years respectively). An overall of 6629 teeth are investigated to find NCCLs and wear facets. The occlusion is analyzed in each patient. Results: An overall of 801 teeth (12%) show NCCLs and 623 of them (78%) highlight also wear facets. The higher number of teeth with NCCLs and of these with simultaneous presence also of wear facets are found on teeth of patients of group-3 (11% of all teeth examined for group and 81% respectively) and to group-4 (24.4% of all teeth examined for group and 86.5% respectively) of remaining teeth without NCCLs (5828) only 138 (2.4%) shown wear facets. Conclusion: The results of this study held the occlusal forces as the main cause of NCCLs on teeth in presence of wear facets.