Ferromagnetism study of Co<Subscript>0.2</Subscript>Mg<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Zn<Subscript>0.8−<Emphasis Type="Italic">x</Emphasis></Subscript>O films prepared by the sol–gel method

Co_0.2Mg _x Zn_0.8−x O films prepared with different molar ratio of magnesium acetate to zinc acetate were deposited on substrates by the sol–gel technique. X-ray diffraction, photoluminescence (PL) and ferromagnetism measurements were used to characterize the Co_0.2Mg _x Zn_0.8−x O diluted magnetic semiconductors. The acceptor-like defects were determined in the PL band and the intensity of the acceptor-related PL increased with increasing Mg concentration. Therefore, an increase in the number of the acceptor-like defects (zinc vacancies especially) in the Co_0.2Mg _x Zn_0.8−x O film may lead to the enhancement of the magnetic properties. It is worth noting that changes in Mg concentration and the number of the acceptor-like defects are important issues for producing strong ferromagnetism Co_0.2Mg _x Zn_0.8−x O films prepared by the sol–gel method.     

Determination of volatile organic compounds in urban and industrial air from Tarragona by thermal desorption and gas chromatography-mass spectrometry

This study describes the optimisation of an analytical method to determine 54 volatile organic compounds (VOCs) in air samples by active collection on multisorbent tubes, followed by thermal desorption and gas chromatography-mass spectrometry. Two multisorbent beds, Carbograph 1/Carboxen 1000 and Tenax/Carbograph 1TD, were tested. The latter gave better results, mainly in terms of the peaks that appeared in blank chromatograms. Temperatures, times and flow desorption were optimised. Recoveries were higher than 98.9%, except methylene dichloride, for which the recovery was 74.9%. The method's detection limits were between 0.01 and 1.25 μg m⁻³ for a volume sample of 1200 ml, and the repeatability on analysis of 100 ng of VOCs, expressed as relative standard deviation for n = 3, was lower than 4% for all compounds. Urban and industrial air samples from the Tarragona region were analysed. Benzene, toluene, ethylbenzene and xylenes (BTEX) were found to be the most abundant VOCs in urban air. Total VOCs in urban samples ranged between 18 and 307 μg m⁻³. Methylene chloride, 1,4-dichlorobenzene, chloroform and styrene were the most abundant VOCs in industrial samples, and total VOCs ranged between 19 and 85 μg m⁻³.     

Investigation on the catalytic activity of doped low-percentage oxide catalysts Mn/ZnO obtained from oxalate precursor

The precursors with a low manganese content ≤ 0.07% Mn were synthesized by spontaneous crystallization from Zn²⁺, Mn²⁺ and C₂O₄ ²⁻-containing solutions. The initial ratio Zn²⁺:C₂O₄ ²⁻ = 1:1 and 1:2 influences the morphology and prevailing orientations of the crystallites in the oxalate samples. The presence of such small Mn content in the samples does not change the morphology or size of the crystals. The ZnO and Mn/ZnO oxides with manganese content from 0.51×10⁻² to 15.1×10⁻² Wt % are obtained after thermal decomposition of the oxalates. The oxides preserved the morphology of the precursors. The catalytic tests show that the pure ZnO has a poor activity for CO oxidation reaction. Its doping with Mn promotes the catalytic activity (up from twice to five times) in spite of the very low contents of the dopants. The observed increase of the activity depends on both dopant concentration and Zn²⁺:C₂O₄ ²⁻ ratio, probably due to the different mechanism of the manganese inclusion and different morphology of the oxides. The catalysts of the 1:2 series are more active in CO oxidation reaction.      

Improved general correlation for critical heat flux during upflow in uniformly heated vertical tubes

An improved version of the author's earlier correlation for CHF in vertical tubes is presented. It is compared with data that include 23 fluids (water, refrigerants, cryogens, chemicals, and liquid metals), tube diameters 0.315 to 37.5 mm, tube length 1.3 to 940 times diameter, mass flux 4 to 29051 kg/m²s, reduced pressures 0.0014 to 0.96, inlet quality −4 to +0.85, and critical quality −2.6 to +1. These data, from 62 independent sources, are also compared with Katto's general correlation and those of Bowring for water and Subbotin for helium. The present correlation shows much better agreement with data.     

ZnO本征缺陷的第一性原理计算

采用基于密度泛函理论的第一性原理赝势法对ZnO本征缺陷的几何结构、杂质形成能和电子结构进行了比较系统的研究。研究表明,OZn、Oi和VZn以受主的形式存在;ZnO和Zni以施主的形式存在。其中,Zni的形成能最小,因此Zni的存在正是未掺杂ZnO是n型半导体的原因。计算结果与其它研究者     

电子束蒸发制备ZnO薄膜及其晶体结构和电学性质

采用电子束蒸发法制备了ZnO薄膜。研究了退火温度及衬底对薄膜的结晶状况以及电学性质的影响．X射线衍射测试结果表明。相同蒸发条件下制备的ZnO薄膜，硅(100)衬底上薄膜晶粒尺寸为73nm。结晶情况明显好于陶瓷和玻璃衬底上的薄膜．退火之后，各种衬底上薄膜的结晶情况相对未退火时都有明显好转；400℃退火时。薄膜逐渐结晶；600℃退火时，ZnO薄膜体现良好的择优生长的趋势，晶粒长大，晶化程度提高，大部分晶粒发生了织构．在400℃退火后。掺入Al2O3的薄膜和未掺杂的ZnO薄膜的电阻率下降了一个多数量级，但掺入MgO的薄膜电阻率变大。这是由于MgO掺杂起到了补偿作用，掺入MgO有可能实现ZnO薄膜的P型掺杂．     

氧化锌纳米棒场发射性能研究

采用简单物理气相沉积法制备出取向和非取向的氧化锌纳米棒，他们的场致电子发射性能测量结果表明，ZnO纳米棒具有较好的场发射性能，但是高度取向的ZnO纳米棒阵列并不利于获得高的场致电子发射电流密度.这可能是由于高密度ZnO纳米棒之间具有较高的屏蔽效应，降低了ZnO纳米棒阵列的场放大因子，从而影响了其场发射性能.相反，非取向ZnO纳米棒由于相互之间的屏蔽效应比较弱，而且表面存在容易成为发射中心的微小突起，表现出较好的场发射效果.这些结果不仅有助于加深我们对准一维纳米材料场致电子发射性能的理解，也为未来场发射电子器件的实际应用提供了可靠的依据. 关键词： 氧化锌 场发射 非取向     

Fe和Ni共掺杂ZnO的电子结构和光学性质

基于密度泛函理论的第一性原理研究Fe,Ni单掺杂和(Fe,Ni)共掺杂纤锌矿型ZnO的能带结构、电子态密度分布、介电函数、光学吸收系数,分析了掺杂后电子结构与光学性质的变化.计算结果表明：掺杂体系的费米能级附近电子态密度主要来源于Fe 3d,Ni 3d态电子的贡献;与纯净ZnO相比,Fe,Ni单掺杂和(Fe,Ni)共掺杂ZnO的介电函数虚部均在0.46eV左右出现了一个新峰;Fe,Ni单掺杂和共掺杂ZnO的吸收光谱均发生明显的红移,并都在1.3eV处出现较强吸收峰.结合他人的计算和实验结果,给出了定性的讨 关键词： 氧化锌 掺杂 第一性原理 光学性质     

ZnO-Si不同退火条件对生长ZnSe薄膜的影响

研究了作为缓冲层的ZnO薄膜在不同的退火时间、退火温度下退火对Si衬底上生长ZnSe膜质量的影响。当溅射有ZnO膜的Si(111)衬底的退火条件变化时，从X射线衍射谱（XRD）和光致发光谱（PL）中可见，ZnSe(111)膜的晶体质量有较大的变化。变温的PL谱表明，Si衬底上生长的具有ZnO缓冲层的ZnSe膜的近带边发射峰起源于自由激子发射。     

矿化剂浓度和温度对水热法合成氧化锌晶体形态的影响

采用水热法，通过改变矿化剂浓度和温度合成了具有不同形态的氧化锌晶体。在较低的温度(350℃)，填充度为35％。矿化剂KOH浓度小于2mol／L时，只合成了氧化锌微晶。当矿化剂KOH浓度大于3mol/L时，合成出多种形态氧化锌晶体，大的晶体达到几十到几百微米，小晶体仅几微米。当矿化剂KOH浓度从4mol／L增加到5mol／L时，晶体的大小没有明显改变。在高矿化剂条件下合成的晶体显露完整的晶面结构，主要显露柱面m{1010}、锥面p{1011}、负极面O面{0001}，有时也显露Zn面{0001}。晶体表面出现斑坑，显示出晶体的表面缺陷。在430℃，填充度为35％，矿化剂KOH浓度大于1．5moL／L时。合成了多种形态氧化锌晶体，大晶体有几十到几百微米，小晶体仅几微米。当矿化剂KOH浓度为2mol／L，KBr浓度为lmol/L时，最大晶体的长度达到1mm。矿化剂KOH浓度为4mol/L时，晶体没有增大。粒度较大的氧化锌晶体形状多为六棱锥体，显露柱面m{1010}、锥面p{1011}、负极面O面{0001}。晶体表面光滑，完整性好。质量高于350℃时合成的晶体。