Improvement of photorefractive properties in Hf:Fe:LiNbO3 crystals with various [Li]/[Nb] ratios

Photorefractive properties of Hf:Fe:LiNbO₃ crystals with various [Li]/[Nb] ratios have been investigated at 488 nm wavelength based on the two-wave coupling experiment. High diffraction efficiency and large recording sensitivity are observed and explained. The decrease in Li vacancies is suggested to be the main contributor to the increase in the photoconductivity and subsequently to the induction of the improvement of recording sensitivity. The saturation diffraction efficiency is measured up to 80.2%, and simultaneously the recording sensitivity of 0.91 cm/J is achieved to in the Hf:Fe:LiNbO₃ crystal grown from the melt with the [Li]/[Nb] ratio of 1.20, which is significantly enhanced as compared with those of the Hf:Fe:LiNbO₃ crystal with the [Li]/[Nb] ratio of 0.94 in melt under the same experimental conditions. Experimental results definitely show that increasing the [Li]/[Nb] ratio in crystal is an effective method for Hf:Fe:LiNbO₃ crystal to improve its photorefractive properties.     

BaFe0.4 Sn0.6 O3 /BaBiO3负温度系数复合热敏陶瓷阻抗分析

以BaBiO₃为导电相,BaFe_0.4Sn_0.6O₃为高阻相,采用固态反应法制备了不同BaBiO₃含量的BaFe_0.4Sn_0.6O₃/BaBiO₃负温度系数(NTC)热敏复合陶瓷.为获得在渗流阈值(即BaBiO₃含量为12 mol%)前后复合陶瓷的内部导电机理,对复合陶瓷进行了阻抗分析.分     

Sb2 Te3 纳米结构的制备与表征

以室温热电性能优异的传统热电材料Sb₂Te₃为研究对象,利用化学气相沉积法制备Sb₂Te₃单晶纳米结构,并研究其生长机理.实验结果表明,不加催化剂时Sb₂Te₃易生长成六方纳米盘,在金催化剂条件下定向生长成纳米线.Sb₂Te₃的形貌与其晶体结构和生长机理有关.Sb₂Te₃为三角结构,Sb和     

纳米 Fe2O3-SnO2 光催化降解海水养殖废水中的氨氮

通过共沉淀法制备纳米Fe_2O_3-SnO_2光催化剂,采用XRD、SEM等测试手段对其进行形貌、物象、粒径一系列的表征,研究结果显示制得的催化剂仍保持纯SnO_2四方金红石型结构.研究了Fe_2O_3-SnO_2光催化剂投加量、Fe_2O_3与SnO_2物质的量比、煅烧温度、煅烧时间、氨氮初始浓度、p H值、H2O2浓度以及光照反应时间等因素对海水养殖废水中氨氮降解效率的影响.在紫外光照射下进行正交实验,确定最优化反应条件:催化剂投加量为0.4 g/dm3,煅烧时间为3 h,物质的量比为1∶2,氨氮初始含量为50 mg/dm3,光照反应时间为2 h.这5个因素对Fe_2O_3-SnO_2光催化氧化速率影响的大小程度依次为:Fe_2O_3与SnO_2物质的量比煅烧时间Fe_2O_3-SnO_2光催化剂投加量氨氮初始浓度光照时间.氨氮去除率可以达到85.1%,相同条件可见光下也可达到82.3%.     

Si2O2 molecule: structure of ground state and the excited properties under different external electric fields

Geometry and vibrational frequencies of the ground state of Si₂O₂ molecule are studied using density function theory (DFT) at the level of cc-pvtz and 6-311++G^**. It is found that the optimizing value by B3lyp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si₂O₂ molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.     

氧化钒晶体的半导体至金属相变的理论研究

本文利用第一性原理方法研究了金红石相和单斜相VO₂晶体的电子结构和热力学性质.在计算中采用局域密度近似结合Hubbard U模型(LDA+U)描述电子的局域强关联效应,同时也利用微扰密度泛函方法计算了两种相结构的声子谱.计算结果表明V原子3d电子轨道中x²-y²轨道能级分裂决定了VO₂晶体在不同相结构下的金属和绝缘体特性.零温状态方程计算揭示了在68 GPa时可以发生从单斜结构     

Carbonate chemistry and projected future changes in pH and CaCO3 saturation state of the South China Sea

To study the dissolved carbonate system in the South China Sea (SCS) and to understand the water mass exchange between the SCS and the West Philippine Sea (WPS), pH, total alkalinity and total CO₂ were measured aboard the R/V Ocean Researcher 1. Because of the sill that separates these two seas in the Luzon Strait with a maximum depth of 2200 m, the SCS Deep Water has characteristics similar to those of water at about 2200 m in the WPS. The minimum pH and the maxima of normalized alkalinity and total CO₂ commonly found in the open oceans at mid-depth also prevail in the WPS but are, however, very weak in the SCS. Rivers and inflows from Kuroshio Surface and Deep Waters through the Luzon Strait as well as those through the Mindoro Strait transport carbon to the SCS year-round. Meanwhile, the outflowing Taiwan Strait water as well as the SCS Surface and Intermediate Waters of the Luzon Strait transports carbon out of the SCS year-round. The Sunda Shelf is also a channel for carbon transport into the SCS in the wet season and out of the SCS in the dry season.fCO₂ data and mass balance calculations indicate that the SCS is a weak CO₂ source in the wet season but an even weaker CO₂ sink in the dry season. With these facts taken together, the SCS is likely a very weak CO₂ source. Anthropogenic CO₂ penetrates to about 1500 m in depth in the SCS, and the entire SCS contains 0.60 ± 0.15 × 10¹⁵ g of excess carbon. Typical profiles of pH as well as the degree of saturation of each of calcite and aragonite in 1850 and 1997 are presented, and those for 2050 AD are projected. The maximum decrease in pH is estimated to be 0.16 pH units in the surface layer when the amount of CO₂ is doubled. It is anticipated that aragonite in the upper continental slope will likely start to dissolve, thereby neutralizing excess CO₂ by around 2050 AD. This paper is unique in that it presents the results of the first attempt ever to estimate the past, present and future physico-chemical properties of the world's largest marginal sea.     

CO2加富培养对鼠尾藻克制赤潮异弯藻效果的影响

采用实验生态学的方法,研究了大型海藻鼠尾藻(Sargassum thunbergii)对赤潮微藻中肋骨条藻(Skeletonema costatum)的克生效应及其对 CO2加富的响应变化.结果表明,正常培养的鼠尾藻新鲜组织、干粉末和水溶性抽提液能够导致中肋骨条藻的细胞密度显著降低(P<0.05), CO2加富培养的鼠尾藻新鲜组织、干粉末和水溶性抽提液能够更加明显地抑制中肋骨条藻种群生长(P<0.01).实验结果证实鼠尾藻对中肋骨条藻具有克生效应,而 CO2加富培养引起了鼠尾藻对中肋骨条藻克生效应的变化,使其对中肋骨条藻生长的抑制作用显著加强.正常培养的鼠尾藻培养水过滤液能够显著抑制中肋骨条藻的生长(P<0.05),而 CO2加富培养的鼠尾藻培养水过滤液对中肋骨条藻的生长没有表现出明显的影响(P>0.05),因此推测 CO2加富培养可能改变了鼠尾藻对中肋骨条藻克生作用的方式,作用方式由分泌克生物质转变为细胞直接接触转递.     

锰掺杂对Ba(Zr,Ti)O3陶瓷压电与介电性能的影响

采用氧化物固相反应法制备了锰掺杂改性的Ba(Zr_0.06Ti_0.94)O₃陶瓷.研究了锰的掺杂量对Ba(Zr_0.06Ti_0.94)Mn_xO₃ (BZTM)陶瓷的结构、介电和压电性能的影响.实验发现,当锰含量x<0.5 mol%时进入晶格,使材料压电性能提高,损耗减小,表现出受主掺杂的特性;当锰含量x>0.5 mo     

盐度对拟穴青蟹幼蟹存活、生长和Na+/K+-ATP 酶活性的影响

研究了盐度(6、13、20、27和33)对拟穴青蟹(Scylla paramamosain)幼蟹生长发育和Na+/K+-ATP酶活性的影响。结果表明,盐度对拟穴青蟹幼蟹甲宽和体质量特定生长率、C3蜕壳间期、甲宽增量(C1至C2和C2至C3)及Na+/K+-ATP酶活性有显著影响(P<0.05),但对幼蟹存活率、C2蜕壳间期及C3至C4甲宽增量无显著影响(P>0.05)。盐度13处理组特定生长率最高、蜕壳间期最短,盐度6处理组特定生长率最低,但与盐度20、27和33处理组无显著差异(P>0.05),而盐度33处理组蜕壳间期最长;第一次蜕壳后盐度20处理组甲宽增量最大,后两次蜕壳盐度13处理组均是最大;盐度处理0.5、4、7和11 d时,Na+/K+-ATP酶活性分别表现为盐度6>13>20>27>33、6>13>27>20>33、6>13>20>27>33和6>13>33>20>27的趋势,低盐环境下Na+/K+-ATP酶活性的升高有助于拟穴青蟹幼蟹对低渗环境的适应。     

Cs2NaMF6(M＝Al,Ga):Cr3+ 络合分子体系局域结构和基态分裂的理论研究

采用双自旋轨道耦合系数模型并结合完全能量矩阵的方法对Cs₂NaMF₆(M=Al, Ga):Cr³⁺ 体系中Cr³⁺ 离子的基态分裂和局域结构进行了研究.通过模拟光谱和EPR谱确定了Cr³⁺ 取代 M³⁺ 形成的两种占位结构的畸变角,发现用双自旋轨道耦合系数模型与单自旋轨道耦合系数模型计算出的畸变角Δθ存在较大的差异.这表     

不同粒径TiO_2颗粒对海洋微藻的毒性效应

本实验以新月菱形藻为受试生物,研究了低浓度不同粒径TiO2颗粒(21nm、60nm和400nm)对海洋微藻生长、抗氧化酶活性(超氧化物歧化酶SOD、过氧化氢酶CAT和过氧化物酶POD)、脂质过氧化产物(MDA)含量的影响,并测定了相应的活性氧自由基(ROS)的含量,初步探讨了TiO2颗粒对海洋微藻的作用机制。结果表明,1mg/L TiO2颗粒对新月菱形藻生长的抑制作用随着粒径的减小而逐渐增强,第48h、72h、96h呈现出显著的纳米效应。TiO2颗粒可以诱导藻细胞内ROS的含量增加,对藻细胞产生氧化胁迫,新月菱形藻的抗氧化酶活性发生应激响应,以清除过量的ROS,但剩余的ROS对藻细胞产生氧化损伤,导致MDA含量升高,并且纳米级TiO2颗粒对新月菱形藻的氧化损伤大于微米级颗粒。在不同粒径TiO2颗粒的胁迫下,藻细胞SOD和CAT活性的响应也存在差异。本研究将为开展人工纳米材料对海洋生态系统影响的潜在风险评估提供科学依据。     

CO2升高和阳光紫外辐射对坛紫菜生长和光合特性的耦合效应

大气CO₂持续升高,导致溶入海水中的CO₂增多,海水表层的H+浓度增加,从而引起海洋酸化。为了探讨近岸定生大型海藻对这种环境变化的响应,本文选择经济海藻坛紫菜为实验材料,研究海洋酸化与紫外辐射对藻体生长以及光合特性的影响。实验分两个CO₂处理,分别为正常空气水平(390 ppmv)和高CO₂水平(800 ppmv); 三种辐射处理,分别为全波长辐射(PAB)、滤除紫外线B(PA)和仅接受可见光处理(PAR)。研究结果表明,CO₂培养下的坛紫菜,在仅有可见光(P)或者同时有紫外线A(PA)存在的情况下,显著促进藻体的生长;但在全波长辐射处理下(PAB),这种作用不明显。高CO₂降低了藻体在P和PA处理下的光合作用速率,但对PAB处理作用不显著。高CO₂处理下的藻体,UV-B显著降低了全波长辐射下藻体紫外吸收物质的含量,但在正常CO₂水平下,紫外辐射的作用不显著。这表明高CO₂导致的生长优势被紫外辐射的负面效应所抵消,在全球变化的过程中,紫外辐射的进一步加强在海洋酸化的背景下甚至有可能降低坛紫菜的产量。     

西沙大气二氧化碳浓度变化特征研究

CO2是引起全球气候变暖的最重要温室气体。大气中过量CO2被海水吸收后将改变海水中碳酸盐体系的组成,造成海水酸化,危害海洋生态环境。本文采用局部近似回归法对2013年12月—2014年11月期间西沙海洋大气CO2浓度连续监测数据进行筛分,得到西沙大气CO2区域本底浓度。结果表明,西沙大气CO2区域浓度具有明显的日变化和季节变化特征。4个季节西沙大气CO2区域本底浓度日变化均表现为白天低、夜晚高,最高值405.39×10-6(体积比),最低值399.12×10-6(体积比)。西沙大气CO2区域本底浓度季节变化特征表现为春季和冬季高,夏季和秋季低。CO2月平均浓度最高值出现在2013年12月,为406.22×10-6(体积比),最低值出现在2014年9月,为398.68×10-6(体积比)。西沙大气CO2区域本底浓度日变化主要受本区域日照和温度控制。季节变化主要控制因素是南海季风和大气环流,南海尤其是北部海域初级生产力变化和海洋对大气CO2的源/汇调节作用。     

基于蛋白组学分析杜氏盐藻对不同浓度CO2的响应

用气体混合仪设置不同的CO_2浓度处理组,测定了杜氏盐藻(Dunaliella salina)细胞密度、碳酸酐酶活性、甘油含量等生理指标,结合蛋白质组学分析方法,比较了不同CO_2浓度下细胞内主要代谢路径蛋白表达的差异。结果表明:在一定范围内,随着CO_2浓度的升高,杜氏盐藻的生理活性及光合活性提高;而CO_2浓度过高对盐藻生长呈抑制作用; 3%CO_2浓度最适于本实验杜氏盐藻藻株的生长。随着CO_2浓度的升高,胞外碳酸酐酶活性下降。低浓度的CO_2有利于β-胡萝卜素的积累,且光系统Ⅱ(PSⅡ)光合活性在CO_2浓度0.03%～3%范围内上升, CO_2浓度达9%时降低,与光合作用相关蛋白的表达趋势接近。上述结果说明杜氏盐藻可能通过调节光合作用中叶绿素等捕光色素的合成及相关蛋白的表达笼统,以响应CO_2浓度的变化;而过高浓度的CO_2可对细胞产生氧化损害,引起热激蛋白和超氧化物歧化酶等蛋白含量的上调以应对氧化胁迫。     

急性CO2酸化对菲律宾蛤仔钙壳和呼吸作用的影响

基于渤海表层典型的碳酸盐系统,通过实验室密闭培养实验,分析急性CO₂酸化条件对菲律宾蛤仔(Ruditapes philippinarum) CaCO₃形成速率(G)和CO₂呼吸速率(R_C)的影响,以探讨局部海域CO₂酸化的底层海水在潮流或者风海流等因素的驱动下,脉冲式影响贝类栖息地时养殖贝类可能的响应。结果表明,菲律宾蛤仔在急性CO₂酸化条件下发生轻微的钙壳溶解和显著的呼吸抑制。CO₂酸化和菲律宾蛤仔的呼吸作用共同驱动钙壳溶解,溶解速率随Ω_文石下降而升高,G(μmol/(FWg·h))=0.14 × Ω_文石-0.49 (n=12, r=0.95, p<0.01)。活体菲律宾蛤仔钙壳保持稳定的Ω_文石临界值为3.5,而在Ω_文石=1.0的条件下,每天溶解的钙壳相当于贝壳总重的2‰。相较于钙壳溶解,Ω_文石改变对菲律宾蛤仔呼吸作用的影响更大,R_C(μmol/(FWg·h))=0.27 × Ω_文石+0.90 (n =12, r=0.82, p<0.01)。由于呼吸代谢决定了摄食等各种耗能行为的效率,因此本研究的结果表明,尽管菲律宾蛤仔可以通过摄食等自身调节机制来抵御造成钙壳溶解的环境胁迫,然而这一机制本身就可能受到酸化环境的不良影响。     

长链烯酮及U37k值在北极海洋古温度的应用研究

在北极楚科奇海和白令海表层沉积物中检出长链烯酮化合物,研究结果表明楚科奇海和白令海沉积物中长链烯酮以C_37:3甲基酮占优势,C₃₇～C₃₉不饱和烯酮丰度变化顺序为C₃₇>C₃₈>C₃₉.根据∑C₃₇/∑C₃₈比值,所检出的长链烯酮母质生物主要是颗石藻(Emiliania huxleyi).应用U₃₇k和U₃₇k'标准校正关系式估算了表层海水古温度,其中U₃₇k'估算值为4.147～5.706℃(平均为5.092℃).     

Experiments on the ocean sequestration of fossil fuel CO2: pH measurements and hydrate formation

We have carried out a series of in situ experiments to investigate the formation of a CO₂ hydrate (CO₂:5.75 H₂O) for the purpose of evaluating scenarios for ocean fossil fuel CO₂ disposal with a solid hydrate as the sequestered form. The experiments were carried out with a remotely operated vehicle in Monterey Bay at a depth of 619 m. pH measurements made in close proximity to the hydrate–seawater interface showed a wide range of values, depending upon the method of injection and the surface area of the hydrate formed. Rapid injection of liquid CO₂ into an inverted beaker to form a flocculant mass of hydrate resulted in pH initially as low as 4.5 within a few centimeters of the interface, decaying slowly over 1–2 h towards normal seawater values as dense CO₂ rich brine drained from the hydrate mass. In a second experiment, slower injection of the liquid CO₂ to produce a simple two-layer system with a near planar interface of liquid CO₂ with a thin hydrate film yielded pH values indistinguishable from the in situ ocean background level of 7.6. Both field and laboratory results now show that the dissolution rate of a mass of CO₂ hydrate in seawater is slow but finite.     

NaAlH4 表面Ti催化空间构型和X射线吸收光谱:Car-Parrinello分子动力学和密度泛函理论研究

通过采用Car-Parrinello分子动力学方法对掺杂Ti前后的NaAlH₄(001)2×2×1超晶胞表面晶体在333 K(60 ℃)温度条件催化脱氢的空间构型做了理论研究,发现掺杂Ti的合金中AlH₄团的其中两个Al—H键长分别从约1.64 (1 =0.1 nm)增大至1.74和1.93 ,而未掺杂合金表面中AlH₄团的4个Al—H键长基本不变,这意味着掺杂Ti相对未掺杂的合金更易于放氢.但在模拟温度条件下并未发现Ti-Al成键趋