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.

Ca_(2)MgTeO_(6)∶Bi^(3+),Mn^(4+)材料的发光性能和温度探测

通过高温固相法成功制备了一系列Ca_(2)MgTeO_(6)∶Bi^(3+),Mn^(4+)荧光粉,对其微观结构、形貌、发光特性和温敏特性进行了表征。Ca_(2)MgTeO_(6)∶Bi^(3+),Mn^(4+)荧光粉具有不同温度敏感性的双发射中心,分别来自于Bi^(3+)离子^(3)P_(1)→^(1)S_(0)跃迁和Mn^(4+)离子的^(2)E_(g)→^(4)A_(2g)跃迁。由于Bi^(3+)、Mn^(4+)离子的发光强度随温度变化的规律不同,利用该特性进行测温研究,在200~500 K范围内,该荧光粉的最大绝对灵敏度和相对灵敏度分别达到0.027 K^(-1)和1.83%·K^(-1),并且观察到荧光粉的发光颜色由橙黄色逐渐变为紫红色。实验结果表明,Ca_(2)MgTeO_(6)∶Bi^(3+),Mn^(4+)荧光粉作为光学测温材料在温度探测方面有一定的潜力。

Sb^(3+)/Bi^(3+)掺杂对Cs_(3)DyCl_(6)钙钛矿光学性能的影响

A_(2)B′BCl_(6)双钙钛矿因其极强的空气稳定性、出色的光学性能而被应用于发光材料。以Cs^(+)作为A^(+)、Dy^(3+)替代Pb^(2+)、Cl^(-)作为卤素合成新的镝基钙钛矿纳米晶体Cs_(3)DyCl_(6),以Sb^(3+)/Bi^(3+)作为激发剂掺杂,成功制备了非铅钙钛矿材料,研究了Sb^(3+)/Bi^(3+)掺杂对钙钛矿发光特性的影响。结果表明:Cs_(3)DyCl_(6)是一种具有高效激发和宽带发射特性的基质,在不添加任何激发剂的情况下就能够发出蓝绿光。在Sb^(3+)掺杂下,材料的发光向黄光方向移动,随着Sb^(3+)掺杂浓度的继续提高,发光强度开始下降,最佳掺杂比例为5%;Bi^(3+)掺杂时的Cs_(3)DyCl_(6)光学性能与Sb^(3+)掺杂下非常相似,当Bi^(3+)掺杂比例为1%时,发光强度达到最大值,Sb^(3+)/Bi^(3+)掺杂能够有效地改善Cs_(3)DyCl_(6)的光学性能。

Bi^(3+)、Eu^(3+)共掺杂La_(4)GeO_(8)荧光粉的制备及可调发光

为了开发出高效稳定的单一基质白光发射荧光材料,本工作通过高温固相法成功合成了一系列La_(4)GeO_(8)∶Bi^(3+),Eu^(3+)荧光粉样品,并通过X射线衍射、室温光谱、变温光谱等手段研究了实验样品的结构与发光性能。研究发现,Bi^(3+)离子在该结构中占据两种不同的格位(Bi^(3+)(Ⅰ)和Bi^(3+)(Ⅱ)),且在紫外光激发下呈现两个峰值分别在475 nm和620 nm的宽带发射。对于Bi^(3+)、Eu^(3+)共掺样品,由于Bi^(3+)(Ⅰ)与Eu^(3+)之间的竞争吸收、Bi^(3+)(Ⅰ)至Bi^(3+)(Ⅱ)以及Bi^(3+)(Ⅱ)至Eu^(3+)的能量传递作用,可实现蓝色至红色、橙红色至红色的可调发光。特别地,样品La_(4)GeO_(8)∶0.07Bi^(3+),0.06Eu^(3+)在313 nm光激发下可获得CIE值为(0.335,0.319)的优异白色发光。此外,该白光发射材料具有较佳的发光热稳定性,当温度升高至380 K时,发光积分强度仍然为室温的59%,表明其在白光二极管上具有潜在的应用价值。

红色荧光粉CaWO_(4)∶Eu^(3+),Bi^(3+)的制备和光学性能的研究

本文采用高温固相法合成了一系列红色荧光粉CaWO_(4)∶Eu^(3+),Bi^(3+)。通过X射线衍射仪、扫描电子显微镜和荧光分光光度计等手段,对样品的晶体结构、微观形貌、光学性能、能量传递方式、荧光寿命和热稳定性进行了表征。结果表明,当Eu^(3+)和Bi^(3+)的掺杂浓度分别为7%和2%时(摩尔分数),荧光粉红色发光(615 nm)最强,理论计算得到荧光粉的平均颗粒尺寸为50.27 nm,这与电子显微镜观察结果相符合。能量传递方式以电偶极-电四极相互作用为主,对CaWO_(4)∶7%Eu^(3+),yBi^(3+)(y=0~6%)系列荧光粉进行了荧光寿命测量,发现它们荧光寿命基本相同,都在0.56 ms左右。对CaWO_(4)∶7%Eu^(3+),2%Bi^(3+)荧光粉在不同温度下的光谱进行比较,并且计算相应的色度坐标,当温度升高时,色度坐标整体左移,发光强度有所变弱,但整体来说热稳定性较好。较好的热稳定性和明亮红光发射表明该荧光粉可以作为潜在商用红光荧光粉。

In^(3+)、Sb^(3+)、Bi^(3+)掺杂对双钙钛矿Cs_(2)NaDyCl_(6)发光性能的调控

A2B′BCl_(6)型双钙钛矿因其极强的空气稳定性和出色的光学性能而被应用于发光材料。使用Na离子替代式掺杂合成非铅体系钙钛矿材料Cs_(2)NaDyCl_(6),引入In^(3+)、Sb^(3+)和Bi^(3+)等掺杂元素对双钙钛矿Cs_(2)NaDyCl_(6)发光性能进行调控。结果表明:通过In^(3+)的掺杂,拓宽了材料的发射区间,进一步提高了其光学性能;Bi^(3+)掺杂能够使钙钛矿的发射光发生红移现象,Sb^(3+)掺杂可以使钙钛矿的发射光发生蓝移现象,Sb^(3+)和Bi^(3+)共同掺杂能够平衡钙钛矿在可见光区域的发射;在In^(3+)、Sb^(3+)、Bi^(3+)三种元素的共同掺杂下,Cs_(2)NaDy_(0.445)In_(0.445)Cl_(6)∶0.1Bi 0.01Sb成功实现了白光发射,在265 nm波长激发下,其CIE色坐标为(0.34,0.35),色温达到5314 K,显色指数高达94。

Sb^(3+)/Bi^(3+)掺杂对Cs_(2)ADyCl_(6)(A=Li,Na,K)发光性能的影响

A2B′BCl_(6)型双钙钛矿因其极强的空气稳定性和出色的光学特性而被应用于发光材料。以Cs^(+)作为A^(+),Dy^(3+)替代Pb^(2+),Cl^(-)作为卤素制备新的镝基钙钛矿纳米晶体Cs_(3)DyCl_(6),使用Li、Na、K离子替代式掺杂合成Cs_(2)ADyCl_(6)(A=Li,Na,K)非铅体系钙钛矿材料,通过掺杂Sb^(3+)/Bi^(3+)作为激发剂实现了不同发光性能的调控。结果表明:Cs_(2)NaDyCl_(6)发射曲线更加平滑且在蓝光与黄光区域均可实现发射,表现出优异的光学特性;通过Sb^(3+)/Bi^(3+)掺杂,双钙钛矿的光学特性得到显著提升,Na^(+)和Sb^(3+)的共同作用可以使钙钛矿材料发光产生蓝移,而Na^(+)与Bi^(3+)的共同作用则可以使其发光产生红移。

非稀土激活耐高温蓝紫色Zn_(3)B_(2)O_(6)∶Bi^(3+)荧光粉的发光特性研究

完全人工光控植物生长技术的快速发展对光源的要求精益求精,发光强度高、热稳定性良好的蓝紫色荧光粉是植物生长的关键材料。本文采用固相法合成了非稀土Bi^(3+)激活耐高温蓝紫色Zn_(3)B_(2)O_(6)∶xBi^(3+)(0≤x≤0.03)荧光粉。X射线衍射和能谱分析结果表明Bi^(3+)成功进入Zn_(3)B_(2)O_(6)基质晶格。荧光光谱观察到Zn_(3)B_(2)O_(6)∶xBi^(3+)荧光粉在430 nm(3P1~1S0)处呈现窄带蓝紫光,半峰全宽仅为56 nm,最佳Bi3+掺杂浓度为0.02。依据激发光谱峰形和寿命衰减行为,证明了Bi^(3+)在Zn_(3)B_(2)O_(6)基质中仅占据Zn格位。另外,Zn_(3)B_(2)O_(6)∶0.02Bi3+荧光粉发射光谱在423 K下的发射峰强和积分面积均为室温下的85%,表明该样品具有优良的热稳定性和潜在的高温器件应用。Zn_(3)B_(2)O_(6)∶0.02Bi^(3+)的发射光谱分别占叶绿素a/b吸收光谱(370~525 nm)的70.4%和84.6%,表明该合成蓝紫色荧光粉在植物生长领域的潜在应用。

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.

Bi^(3+)、Eu^(3+)共掺双钙钛矿Gd_(2)ZnTiO_(6)荧光粉制备及其温度传感性能

采用高温固相法制备了一系列具有双发射中心的Gd_(2(1-x-y))ZnTiO_(6)∶xBi^(3+),y Eu^(3+)荧光粉。采用X射线衍射、扫描电子显微镜、荧光光谱、寿命衰减曲线和变温发射光谱等方法,系统地研究了该材料的结构、发光性能和温度传感特性。在Gd_(2)ZnTiO_(6)∶Bi^(3+),Eu^(3+)荧光粉中,Bi^(3+)和Eu^(3+)离子占据了Gd^(3+)离子的位置。在紫外激发下,Eu^(3+)的激发光谱和Bi^(3+)的发射光谱存在光谱重叠,表明从Bi^(3+)到Eu^(3+)可能存在能量传递。通过荧光强度比技术探究了Bi^(3+)蓝光发射与Eu^(3+)红光发射的不同温度响应特性。在293~473 K温度范围内,测得Gd_(2)ZnTiO_(6)∶Bi^(3+),Eu^(3+)荧光粉的最大相对温度灵敏度为1.133%·K^(-1),最大绝对灵敏度为0.73%·K^(-1)。因此,Gd_(2)ZnTiO_(6)∶Bi^(3+),Eu^(3+)荧光粉是一种有潜力的非接触式光学测温材料。

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。

电荷补偿对Ba_(2)ZnGe_(2)O_(7)∶Bi^(3+)荧光粉发光性质的影响

采用高温固相法制备了2个系列的荧光粉样品:Ba_(2-x)ZnGe_(2)O_(7)∶xBi^(3+)(系列Ⅰ)和Ba1.994-yKyZnGe_(2)O_(7)∶0.006Bi^(3+)(系列Ⅱ)。X射线衍射(XRD)测试结果表明,少量Bi^(3+)、K^(+)的掺杂不会明显改变材料的物相结构。样品的荧光光谱测试结果表明,虽然2个系列样品的发光光谱都随组成成分变化有少量变化,但发光颜色基本上均为黄绿色。在358 nm的激发下,荧光粉的发射光谱呈现一个峰值在500 nm的宽发射带,归属于^(3)P_(1)→^(1)S_(0)能级跃迁。在500 nm监测下,荧光粉的最强激发峰位于358 nm,归属于^(1)S_(0)→^(3)P_(1)能级跃迁,此外还有一个位于320 nm的肩峰归属于O^(2-)-Bi^(3+)电荷转移带。系列Ⅰ样品的光谱数据结果指出,Bi^(3+)的最佳掺杂量x为0.006。在该基质中,Bi^(3+)掺杂取代Ba_(2+)属于不等价取代,会在晶格中产生Ba_(2+)空位或间隙O^(2-),对材料的发光强度产生负面影响。对此,采用K^(+)与Bi^(3+)协同掺杂起到电荷补偿的作用,填补Ba_(2+)空位或捕获间隙O^(2-)缺陷。空位被填补或间隙被捕获均减少了晶格畸变,从而使发光强度明显提高。系列Ⅱ样品的光谱数据表明,完全电荷补偿的荧光粉样品相比于没有掺K^(+)的样品,其发光强度提高了约2.5倍。

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.

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%.