First-Principles Investigation of Charge Transfer Mechanism of B-Doped 3C-SiC Semiconductor Material

This study delves into the charge transfer mechanism of boron (B)-doped 3C-SiC through first-principles investigations. We explore the effects of B doping on the electronic properties of 3C-SiC, focusing on a 12.5% impurity concentration. Our comprehensive analysis encompasses structural properties, electronic band structures, and charge density distributions. The optimized lattice constant and band gap energy of 3C-SiC were found to be 4.373 Å and 1.36 eV respectively, which is in agreement with previous research (Bui, 2012;Muchiri et al., 2018). Our results show that B doping narrows the band gap, enhances electrical conductivity, and influences charge transfer interactions. The charge density analysis reveals substantial interactions between B dopants and surrounding carbon atoms. This work not only enhances our understanding of the material’s electronic properties, but also highlights the importance of charge density analysis for characterizing charge transfer mechanisms and their implications in the 3C-SiC semiconductors.

基于铝离子敏化牡丹提取物(丹皮酚)荧光法定量分析Al^(3+)的研究

饮用水是人体铝元素的主要摄入来源.微量铝离子可对人体健康造成很大危害.WHO(世界卫生组织)规定,饮用水中允许的最高铝离子浓度为200μg/L(7.41μmol/L).因此铝离子的高灵敏检测显得尤为重要.目前常用的铝离子检测方法存在操作麻烦,周期长等缺点,所以构建一种简便、快捷的铝离子检测方法尤为重要.丹皮酚是一种提取自牡丹皮的有机化合物,其与Al^(3+)结合后荧光会数倍增强.基于丹皮酚与铝离子结合产生荧光增强现象,建立了一种检测铝离子的荧光分析方法.此方法只需常温反应5 min,并且检测限为0.5μmol/L(线性范围:0~100μmol/L),构建的检测方法具有快速、低成本、简单、高特异性和高灵敏等优点,有很好的应用前景.

基于新绿原酸的紫外吸收和电化学双信号响应的Al^(3+)分析新方法研究

目的 利用新绿原酸(NCGA)与Al^(3+)的相互作用,建立一种基于NCGA的紫外吸收和电化学双信号响应的Al^(3+)分析新方法。方法 基于NCGA与单壁碳纳米管(CNTs)之间的π-π堆积作用,构建了NCGA/CNTs/GC电极。利用差分脉冲(DPV)技术和修饰电极在+0.23 V的氧化电流的下降对Al^(3+)进行定量分析。基于NCGA对Al^(3+)在325 nm处的吸收降低同时伴随365 nm新峰生成的紫外光谱响应,并且在277和340 nm处出现等吸收点,利用365 nm和325nm处的吸光度值之比(A_(365)/A_(325))对Al^(3+)进行定量分析。结果 基于NCGA的分析方法对Al^(3+)的紫外吸收在0.1~100μmol·L^(-1)呈现出良好的线性关系,检测限为0.034μmol·L^(-1);基于NCGA的修饰电极对Al^(3+)的电流响应在0.01~0.1,0.1~10和10~100μmol·L^(-1)呈现良好的线性关系,检测限为0.45 nmol·L^(-1)。生理浓度的其他金属离子和生理活性物质对两种信号测定方法均无明显干扰。在NCGA的紫外分析方法和电化学分析方法下,大鼠血清的加标回收率分别为97.4%~101%(n=3)和98.5%~99.4%(n=3)。结论 本方法具有良好的线性、选择性和准确度,并被成功用于大鼠中Al^(3+)的准确定量。该方法有望应用于Al^(3+)相关的生理和病理事件研究。

Fabrication of Gd_(2)O_(3)-doped CeO_(2)thin films through DC reactive sputtering and their application in solid oxide fuel cells

Physical vapor deposition(PVD)can be used to produce high-quality Gd_(2)O_(3)-doped CeO2(GDC)films.Among various PVD methods,reactive sputtering provides unique benefits,such as high deposition rates and easy upscaling for industrial applications.GDC thin films were successfully fabricated through reactive sputtering using a Gd_(0.2)Ce_(0.8)(at%)metallic target,and their application in solid oxide fuel cells,such as buffer layers between yttria-stabilized zirconia(YSZ)/La0.6Sr0.4Co0.2Fe0.8O_(3−δ)and as sublayers in the steel/coating system,was evaluated.First,the direct current(DC)reactive-sputtering behavior of the GdCe metallic target was determined.Then,the GDC films were deposited on NiO-YSZ/YSZ half-cells to investigate the influence of oxygen flow rate on the quality of annealed GDC films.The results demonstrated that reactive sputtering can be used to prepare thin and dense GDC buffer layers without high-temperature sintering.Furthermore,the cells with a sputtered GDC buffer layer showed better electrochemical performance than those with a screen-printed GDC buffer layer.In addition,the insertion of a GDC sublayer between the SUS441 interconnects and the Mn-Co spinel coatings contributed to the reduction of the oxidation rate for SUS441 at operating temperatures,according to the area-specific resistance tests.

Al^(3+)掺杂对Ca_(3)(Zr,Ti)Si_(2)O_(9):Bi^(3+)蓝色荧光粉发光性能的影响

文章通过高温固相法成功制备出了Ca_(3)(Zr,Ti)Si_(2)O_(9):Bi^(3+),Al^(3+)系列荧光粉,其发射峰位于420 nm,对应Bi^(3+)离子的6s→6p跃迁。采用Al3+离子替代的实验策略,优化了荧光粉的发光性能。发现Al3+离子的掺入使晶体颗粒分布均匀,荧光粉的发射强度增强,量子效率有效提高、荧光寿命减小。通过高斯拟合分析Bi^(3+)离子在该荧光粉中的格位占据情况发现Bi^(3+)离子占据两种不同Ca^(2+)的格位,而Al^(3+)离子的掺入,减小Bi3+离子发光中心之间的临界距离,以及促进Bi^(3+)离子格位-格位之间的能量转移,导致荧光粉的临界浓度减小。通过色坐标计算表明荧光粉的色纯度也有效提高。研究表明,阳离子替代的实验策略能够成功优化荧光粉的发光性能,在促进植物光合作用的LED照明器件中具有潜在应用价值。

Al^(3+)对污泥自热高温微氧消化产酸及有机物释放的影响

为开发利用剩余污泥消化液中的有机物,向污泥自热高温微氧消化(ATMAD)体系投加不同量的AlCl_(3)·6H_(2)O,研究Al^(3+)对该体系内有机物、挥发性脂肪酸(VFA)及氨氮、磷酸盐释放的影响.结果表明,消化体系内存在的Al^(3+)抑制了有机物的分解转化,改变了污泥消化液中有机组分的含量与构成.对照组中VFA的最大产量是Al^(3+)浓度为1.0g/L的实验组VFA产量的6.9倍.消化结束后Al^(3+)浓度为1.0g/L的体系内NH_(4)^(+)-N浓度为502.06mg/L,而对照组中NH_(4)^(+)-N浓度仅为334.41mg/L.Al^(3+)也降低了体系内微生物活性.消化体系中存在的Al^(3+)不利于活性污泥ATMAD体系的产酸与稳定化,在污泥ATMAD体系中应避免引入过多的Al^(3+),以保证消化体系能够充分产酸,释放有机物,为污水处理生物脱氮提供优质碳源.

缺陷MOF-74的合成以及其对Al^(3+)和Sn^(2+)荧光传感能力的研究

在发光金属有机骨架中引入适度缺陷可以调节材料的荧光性能,增强其对分析物的荧光检测能力。本文以三乙胺作为调节剂,通过配位调制的方法得到了缺陷金属有机骨架MOF-74-TEA,借助XRD、IR和SEM等表征手段对结构和形貌进行了详细表征,用荧光光谱法研究了其对Al^(3+)和Sn^(2+)的识别能力。与无缺陷MOF-74-1相比,MOF-74-TEA提高了对Al^(3+)和Sn^(2+)的检测灵敏度,并且提高了其对Al^(3+)检测的线性范围。其原因可能是缺陷的引入增强了分析物在材料中的扩散和传质,材料活性作用位点的增多使其与金属离子作用力更强,配体-金属电荷转移效率更高。

Al^(3+)改性骨胶的性能及其胶接工艺

用NaOH对骨胶进行降解,然后用Al^(3+)对其进行配位改性,制得室温下呈液态的骨胶,探讨了改性机制。对骨胶改性前后的结构和性能进行表征和测试,并优选出改性骨胶压制胶合板的最佳工艺参数。结果表明:Al^(3+)与N、O以配位键结合,形成稳定的五元环结构;骨胶经改性后,胶膜表面更为规整,没有明显缺陷,断裂面整体呈现海藻状结构,热稳定性无明显变化,耐水性明显提高。当热压的温度为110℃,时间为20 min,压力为4 MPa,存放时间为48 h时,胶合板具有相对最大的胶接强度。

Preparation and characterization of Eu^(3+)-doped CaCO_3 phosphor by microwave synthesis

A Eu^3＋-doped CaCO3 phosphor with red emission was prepared by microwave synthesis. The scanning electron microscopy （SEM） image and laser particle size analysis show that the CaCO3：Eu^3＋ particles are needle-like in the length range of 5.0-10.0 μm. The results of X-ray diffraction （XRD） analysis, Fourier transform infrared spectroscopy （FT-IR）, and Raman spectroscopy indicate that pure aragonite CaCO3：Eu^3＋ is prepared using microwave irradiation and the Eu^3＋ ion as a luminescence center inhabits the site of Ca^2＋. The photoluminescence excitation （PLE） spectrum shows that the strong broad band at around 270 nm and weak sharp lines in 300-550 nm are assigned to the charge transfer band of Eu^3＋-O^2- and intra-configurational 4f-4f transitions of Eu^3＋, respectively. The photoluminescence （PL） spectrum implies that the red luminescence can be attributed to the transitions from the ^5D0 excited level to the ^7FJ （J = 0, 1, 2, 3, 4） levels of Eu^3＋ ions with the mainly electric dipole transition ^5D0 → ^7F2 （614 and 620 nm）, and the Eu^3＋ ions prefer to occupy the low symmetric site in the crystal lattice.

Characterization of the BaBiO_3-doped BaTiO_3 positive temperature coefficient of a resistivity ceramic using impedance spectroscopy with T_c=155℃

BaBiO3-doped BaTiO3 （BB-BT） ceramic, as a candidate for lead-free positive temperature coefficient of resistivity （PTCR） materials with a higher Curie temperature, has been synthesized in air by a conventional sintering technique. The temperature dependence of resistivity shows that the phase transition of the PTC thermistor ceramic occurs at the Curie temperature, Tc = 155℃, which is higher than that of BaTiO3 （≤ 130 ℃）. Analysis of ac impedance data using complex impedance spectroscopy gives the alternate current （AC） resistance of the PTCR ceramic. By additional use of the complex electric modulus formalism to analyse the same data, the inhomogeneous nature of the ceramic may be unveiled. The impedance spectra reveal that the grain resistance of the BB-BT sample is slightly influenced by the increase of temperature, indicating that the increase in overall resistivity is entirely due to a grain-boundary effect. Based on the dependence of the extent to which the peaks of the imaginary part of electric modulus and impedance are matched on frequency, the conduction mechanism is also discussed for a BB-BT ceramic system.

Green and red up-conversion emissions and thermometric application of Er^(3+) -doped silicate glass

The green and red up-conversion emissions centred at about 534, 549 and 663 nm of wavelength, corresponding respectively to the ^2H11/2 → ^4I15/2, ^4S3/2 → ^4I15/2 and ^4F9/2 → ^4I15/2 transitions of Er^3＋ ions, have been observed for the Er^3＋-doped silicate glass excited by a 978 nm semiconductor laser beam. Excitation power dependent behaviour of the up-conversion emission intensity indicates that a two-photon absorption up-conversion process is responsible for the green and red up-conversion emissions. The temperature dependence of the green up-conversion emissions is also studied in a temperature range of 296-673 K, which shows that Er^3＋-doped silicate glass can be used as a sensor in high-temperature measurement.

Three-photon-excited fluorescence of Tb^(3+)-doped CaO-Al_2O_3-SiO_2 glass by femtosecond laser irradiation

A near infrared to visible blue, green, and red upconversion luminescence in a Tb^3＋-doped CaO-Al2O3-SiO2 glass was studied, which was excited using 800 nm femtosecond laser irradiation. The upconversion luminescence was attributed to ^5D3→^7F5, ^5D3→^7F4, ^5D3→^7F3, ^5D4→^7F6, ^5D4→^7F5, ^5D4→^7F4, and ^5D4→^7F3 transitions of Tb^3＋. The relationship between upconversion luminescence intensity and the pump power indicated that a three-photon simultaneous absorption process was dominant in this upconversion luminescence. The intense red, green, and blue upconversion luminescence of Tb^3＋-doped CaO-Al2O3-SiO2 glass may be potentially useful in developing three-dimensional display applications.

Promotional effect for SCR of NO with CO over MnO_(x)-doped Fe_(3)O_(4) nanoparticles derived from metal-organic frameworks

MnO_(x)-Fe_(3)O_(4) nanomaterials were fabricated by using the innovative scheme of pyrolyzing manganesedoped iron-based metal organic framework in inert atmosphere and exhibited extraordinary performance of NO reduction by CO(CO-SCR).Multi-technology characterizations were conducted to ascertain the properties of fabricated materials(e.g.,TGA,XRD,SEM,FT-IR,XPS,BET,H_(2)-TPR and O_(2)-TPD).Moreover,the interaction between reactants and catalysts was ascertained by in situ FT-IR.Experimental results demonstrated that Mn was an ideal promoter for iron oxides,resulting in decrease of crystallite size,improve reducibility property,enhance the mobility and the amount of lattice O^(2-) species,as well as strength the adsorption ability of active NO and CO to form multiple species(e.g.,nitrate and carbonate).The unprecedented enhancement of CO-SCR activity over Mn-Fe nanomaterials follows the Eley-Rideal(E-R)and Langmuir-Hinshelwood(L-H)reaction pathway.

Al掺杂Fe_(2)(MoO_(4))_(3)的热致变色性能研究

通过溶胶凝胶法制备了单斜Fe_(2)(MoO_(4))_(3)到单斜Al_(2)(MoO_(4))_(3)固溶体系列的Fe_(2-x)Al_(x)(MoO_(4))_(3)(x=0,0.2,0.4,0.6,0.8,1.0,1.2,1.4,1.6,1.8,2.0)粉末样品。通过X射线衍射发现所有样品都具有相同的单斜相结构,没有发生相分离,成功做到不同比例下的Fe_(2-x)Al_(x)(MoO_(4))_(3)共存。单斜Fe_(2)(MoO_(4))_(3)的晶胞体积随铝含量增加而减小,这与Al^(3+)取代Fe^(3+)的进入有关。在600℃下烧制的x=1.6的组合物表现出最好的可逆热致变色性能。基于电荷转移机理的无机可逆热致变色材料具有随温度连续变色的特性,本研究将对钼酸盐基质中的发色团离子之间相互作用的理论机理进行解释,进一步提升新型热致变色材料的可控调节制备及应用。

2 μm mid-infrared optical spectra of Tm3+-doped germanium gallate glasses

Glasses with the composition of 65GeO212Ga2O3-10BaO-8Li2O-5La2O3(molar ratio) doped with 1.526 wt.%, 3.006 wt.%, 5.836 wt.%, 11.028 wt.%, and 15.678 wt.% Tm2O3, respectively, were fabricated by conventional melting method. According to the absorption spectra and the Judd-Ofelt theory, the J-O strength parameters (Ω2,Ω4, Ω6) were calculated, with which the radiative transition probabilities,branching ratios and radiative lifetimes were obtained. The infrared emission spectra (with 808 nm LD excitation) at～1.47 and～1.8 μm of various concentrations of Tm3+-doped glasses were studied. The emission intensity at～1.8 μm reached to the maximum when the Tm2O3-doping concentration was near to be～3.006 wt.% (1.0 mol.%), and then decreased as doping concentration increased further. The mechanism of the fluorescence intensity change was explained with the cross-relaxation effect and the concentration quenching effect of Tm3+. Meanwhile, according to McCumber theory, the absorption and emission cross-sections corresponding to the 3F4→3H6 transitions of Tm3+ at 1.8 μm was obtained. For Tm3+-doped germanate glasses, the maximum emission cross-section reached a value higher than that re-ported for fluorozircoaluminate glasses. It is expected to be a favorable candidate host for～2.0 μm mid-inflated laser because the glass shows favorable optical spectra.

Tm^(3+)-doped tellurite glass with Yb^(3+) energy sensitized for broadband amplifier at 1400–1700 nm bands

A kind of novel experiment was disclosed as it possessed two bands of fluorescence emission at 1.4 and 1.6 μm, which were perfectly complimentary to the current C band of optic communication. The fluorescence was based on energy transfer and up-conversion processes between Tm^3＋ and Yb^3＋ under direct pumping of 975 nm LD. The spectra and lifetimes of Tm^3＋ fluorescence in the tellurite glass were described. The corresponding fluorescence characteristics and energy migration process were analyzed by the method of lifetime and intensity comparison. The mechanism of the up-conversion based IR fluorescence was presented upon analyzing the multi-photon pumping process. The potential advantages of Tm^3＋/Yb^3＋ co-doped tellurite glass as amplifier material were concluded.

Laser Cooling Using Anti-Stokes Fluorescence in Yb^(3+)-Doped Fluorozirconate Glasses

The fluorozirconate glasses ZBLANP( ZrF\-4-BaF\-2-LaF\-3-AlF\-3-NaF-PbF\-2) doped with different Yb\+ 3+ concentration were prepared. The Raman spectra and absorption spectra are measured to substantiate the existence of phonon-assisted emission. After analyzing the normalized absorption spectra of samples with different Yb\+ 3+-doped concentration, we calculated the maximum cooling effect in the 3 wt% Yb\+ 3+-doped sample pumped at 1 012.5 nm. The corresponding cooling capability is about -4.09 ℃/W and the cooling efficiency reaches 1.76%.

Mechanism and behaviors of Cr3+-doped TiO2

TiO2 powder and TiO2 thin film on the surface of glazed ceramic tile were prepared by sol-gel method.The influences of different doping Cr3+ concentration on the photocatalytic activity of TiO2 were discussed, UV-visible and X-ray diffraction analysis were used to test the performance of TiO2 powder and film. The results indicate that photocatalytic activity of doping Cr3+-TiO2 thin film is higher than that of powder, and the interaction between Cr3+-doped and substrate can greatly enhance the photocatalytic activity. The results of X-ray diffraction and photoabsorption show that the Cr3+ -doped energy level in TiO2 is 0. 62 eV high from the top of valence band, which belongs to the type of deep energy level doping. On the basis of the semiconductor energy level theory and Cr3+ dopant energy level, the semiconductor energy level model of Cr3+ in TiO2 powder and thin film were established, and the doping mechanisms of Cr3+-doped in TiO2 powder and thin film were analyzed.

MgGa_(2)O_(4)∶Cr^(3+),Al^(3+)近红外发光长余辉纳米粒子的制备及发光性能研究

利用乙二醇辅助共沉淀法,制备了小尺寸近红外发光Al^(3+)共掺杂镓酸镁(MgGa_(2)O_(4))∶0.3%Cr^(3+)(MGO∶0.3%Cr^(3+),Al^(3+))长余辉发光纳米粒子(PLNP),考察了Al^(3+)掺杂对MGO∶0.3%Cr^(3+)晶体结构和光学性质的影响。研究结果表明,Al^(3+)掺杂对MGO∶0.3%Cr^(3+)的晶体结构无影响,但能提高MGO∶0.3%Cr^(3+)的发光强度。当Al^(3+)掺杂量为0.4%(摩尔分数)时,MGO∶0.3%Cr^(3+),0.4%Al^(3+)(Al^(3+)、Cr^(3+)相对于Ga^(3+)的物质的量比,摩尔分数)PLNP发光强度最强,余辉平均发光寿命从46.98s(MGO∶0.3%Cr^(3+))增大至78.75s(MGO∶0.3%Cr^(3+),0.4%Al^(3+)),平均粒径为(6.53±1.79)nm。本研究为制备小尺寸和高发光强度的PLNP提供了一种有效的方法。此外,高发光强度和长余辉寿命的MGO∶0.3%Cr^(3+),0.4%Al^(3+) PLNP为光学传感、成像和治疗等提供了材料支撑。

Synthesis of Fe^(3+)-doped Aminated Lignin as A Peroxidase Mimic for Colorimetric Detection of H_(2)O_(2) and Glucose

Peroxidase plays an important role in living systems;however,its storage difficulty and easy inactivation have limited its applications in complex environments.To address these problems,herein,we proposed a method to synthesize peroxidase mimics by amination,carbonization,and Fe^(3+)-doping of industrial alkali lignin.The Fe^(3+)-doped lignin-based peroxidase mimic(Fe-LPM),with active centers of coordination between Fe^(3+)and N atoms,showed higher tolerance to pH value and temperature than natural peroxidase.Using Fe-LPM,10-100 mmol/L of H_(2)O_(2) and glucose could be colorimetrically detected with the lowest detection limits of 80μmol/L and 1.5 mmol/L and visual detection limits of 1.0 mmol/L and 10 mmol/L,respectively.The Fe-LPM maintained peroxidase-like activity after 10 cycles and could even be used for H_(2)O_(2) detection in practical samples.This work not only provides a new approach to synthesize peroxidase mimics using biomass materials but also promotes the high-value utilization of lignin.