相变存储材料Ge1Sb2Te4和Ge2Sb2Te5薄膜的结构和电学特性研究

采用射频磁控溅射方法制备了两种用于相变存储器的Ge₁Sb₂Te₄和Ge₂Sb₂Te₅相变薄膜材料,对其结构、电学输运性质和恒温下电阻随时间的变化关系进行了比较和分析.X射线衍射(XRD)和原子力显微镜(AFM)的结果表明:随着退火温度的升高,Ge₁Sb₂Te₄薄膜逐步晶化,由非晶态转变为多晶态,表面出现均匀的、     

The density functional calculations on the structural and electronic properties of the endohedral fullerene dimer (N2@C60)2

The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer (N₂@C₆₀)₂. Four N atoms sit at the cage centres in the form of two N_2 molecules. The density of states and Mulliken charge analysis explore that the energy levels from -6 to -10 eV are mainly influenced by the N₂ molecules.     

基于反转法的O2 -CO2 输运性质预测

采用反转法计算得到了O₂-CO₂混合气体新的势能参数.在此基础上,根据分子动力学理论,计算了混合气体在零密度下的输运性质,包括黏度系数、热扩散系数和热扩散因子,计算的温度范围为273.15—3273.15 K.与实验值比较表明,计算结果可以满足实际工程应用.     

Distributions and air-sea fluxes of CO2 in the summer Bering Sea

The 3rd Chinese National Arctic Research Expedition(CHINARE–Arctic III) was carried out from July to September in 2008. The partial pressure of CO2(pCO2) in the atmosphere and in surface seawater were determined in the Bering Sea during July 11–27, 2008, and a large number of seawater samples were taken for total alkalinity(TA) and total dissolved inorganic carbon(DIC) analysis. The distributions of CO2 parameters in the Bering Sea and their controlling factors were discussed. The pCO2 values in surface seawater presented a drastic variation from 148 to 563 μatm(1 μatm = 1.013 25×10-1 Pa). The lowest pCO2 values were observed near the Bering Sea shelf break while the highest pCO2 existed at the western Bering Strait. The Bering Sea generally acts as a net sink for atmospheric CO2 in summer. The air-sea CO2 fluxes in the Bering Sea shelf, slope, and basin were estimated at-9.4,-16.3, and-5.1 mmol/(m2·d), respectively. The annual uptake of CO2 was about 34 Tg C in the Bering Sea.     

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。     

Sr掺杂Eu1-xSrxMnO3体系的磁相变以及输运特性研究

对Eu_1-xSr_xMnO₃ (ESMO, x=0—1)体系的结构和磁性进行了系统的研究,结果表明Sr的掺入使EuMnO₃反铁磁母体的磁结构发生巨大的变化.通过磁化和电输运测量,深入探讨了高掺杂浓度Eu_0.4Sr_0.6MnO₃和Eu_0.3Sr_0.7MnO_{3相似文献}   

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.     

Improvement in the calculation of anti-Stokes energy transfer and experimental justification based on Er0.01YbxY1 - 0.01 - xVO4 crystal

The improvement on the calculation of anti-Stokes energy transfer rate is studied in the present work. The additional proportion coefficient between Stokes and anti-Stokes light intensities of quantum Raman scattering theory as compared with the classical Raman theory is introduced to successfully describe the anti-Stokes energy transfer. The theoretical formula for the improvement on the calculation of anti-Stokes energy transfer rate is derived for the first time in this study. The correctness of introducing coefficient exp{ΔE / kT} from well-known Raman scatter theory is demonstrated also. Moreover, the experimental lifetime measurement in Er_0.01Yb_xY_{1 - 0.01 - x}VO₄ crystal is performed to justify the validity of our important improvement in the original phonon-assisted energy transfer theory for the first time.     

南海东北部春季海表pCO_2分布及海-气CO_2通量

2013年南海东北部春季共享航次采用走航观测方式,现场测定了表层海水和大气的二氧化碳分压(pCO2)及相应参数。结合水文、化学等同步观测要素资料,对该海域pCO2的分布变化进行了探讨。结果表明,陆架区受珠江冲淡水、沿岸上升流及生物活动的影响,呈现CO2的强汇特征;吕宋海峡附近及吕宋岛西北附近海域受海表高温、黑潮分支"西伸"、吕宋岛西北海域上升流等因素影响,呈现强源特征。根据Wanninkhof的通量模式,春季整个南海东北部海域共向大气释放约4.25×104 t碳。     

An improved model for the calculation of CO2 solubility in aqueous solutions containing Na, K, Ca, Mg, Cl, and SO4

An improved model is presented for the calculation of the solubility of carbon dioxide in aqueous solutions containing Na⁺, K⁺, Ca²⁺, Mg²⁺, Cl⁻, and SO₄²⁻ in a wide temperature–pressure–ionic strength range (from 273 to 533 K, from 0 to 2000 bar, and from 0 to 4.5 molality of salts) with experimental accuracy. The improvements over the previous model [Duan, Z. and Sun, R., 2003. An improved model calculating CO₂ solubility in pure water and aqueous NaCl solutions from 273 to 533K and from 0 to 2000 bar. Chemical Geology, 193: 257–271] include: (1) By developing a non-iterative equation to replace the original equation of state in the calculation of CO₂ fugacity coefficients, the new model is at least twenty times computationally faster and can be easily adapted to numerical reaction-flow simulator for such applications as CO₂ sequestration and (2) By fitting to the new solubility data, the new model improved the accuracy below 288 K from 6% to about 3% of uncertainty but still retains the high accuracy of the original model above 288 K. We comprehensively evaluate all experimental CO₂ solubility data. Compared with these data, this model not only reproduces all the reliable data used for the parameterization but also predicts the data that were not used in the parameterization. In order to facilitate the application to CO₂ sequestration, we also predicted CO₂ solubility in seawater at two-phase coexistence (vapor–liquid or liquid–liquid) and at three-phase coexistence (CO₂ hydrate–liquid water–vapor CO₂ [or liquid CO₂]). The improved model is programmed and can be downloaded from the website http://www.geochem-model.org/programs.htm.     

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.     

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.     

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     

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。     

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。     

亚热带珊瑚礁海域枯水季pCO2的分布特征及CO2汇源转换机制-以深圳杨梅坑海域为例

由于存在极高的初级生产和高效的碳代谢速率, 珊瑚礁海域二氧化碳(CO₂)的汇/源属性仍存有争议。为明晰中国典型珊瑚礁海域CO₂的汇源属性及驱动因素, 作者基于2022年11月(秋季)和2023年2月(冬季)在深圳杨梅坑海域的调查结果并结合室内培养实验所获得的数据, 探究了枯水季节典型亚热带珊瑚礁海水二氧化碳分压(pCO₂)的分布特征及主要控制机制。结果表明, 调查期间pCO₂的变化较大, 其范围为233.3~465.3 μatm。秋季表现为大气CO₂的汇, CO₂吸收通量为1.66±0.41 mmol C/(m²/d);冬季表现为大气CO₂的弱源, 其释放通量为0.36±0.17 mmol C/(m²/d)。调查期间(枯水季)杨梅坑海域受淡水输入的影响较小, 季节性温度影响下的生物过程是驱动pCO₂变化的关键因素, 其贡献pCO₂总变化量的73.6%(表层)和66.5%(底层)。其中, 浮游植物光合作用的季节差异是导致海水CO₂汇源转变的主要成因, 而微生物呼吸作用的影响甚微。相比较, 物理过程(CO₂海-气交换、温度和盐度变化)对pCO₂的影响相对较小, 其作用结果远低于生物过程。此外, 珊瑚的代谢活动对杨梅坑局部海域pCO₂分布产生一定影响, 造成礁区pCO₂值高于非礁区。因此, 海气CO₂通量估算中不能忽视局部海域珊瑚代谢作用的影响。     

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。     

Cholinesterase activities in the Antarctic scallop Adamussium colbecki: Tissue expression and effect of ZnCl2 exposure

Biochemical characterization of cholinesterase activity (ChE) was carried out on the Antarctic scallop Adamussium colbecki collected in winter 2000 from Campo Icaro (Ross Sea, Antarctica) in order to increase its suitability as a sentinel organism for monitoring the Antarctic environment. The digestive gland, gills and adductor muscle were investigated for substrate specificity and inhibitors sensitivity using acetylthiocholine iodide (ASCh) and butyrylthiocholine iodide (BSCh) as substrates and tetra (monoisopropyl)pyrophosphor-tetramide (Iso-OMPA), 1,5-bis(4-allyldimethylammoniumphenyl)-penthan-3-one dibromide (BW284c51) and the insecticide chlorpyrifos as inhibitors. Effect of in vivo exposure to ZnCl₂ was also investigated. All the tissues expressed ChE activity (gill > adductor muscle > digestive gland) and low substrates specificity throughout the hydrolysis of both ASCh and BSCh substrates. Partial (25–29%) and total inhibition (100%) of ChE activity in gills was demonstrated following in vitro incubation with Iso-OMPA and BW284c51 (3 mM), respectively. Concentration-dependent inhibition was also evident with chlorpyrifos in the range 10⁻⁴–10⁻¹⁰ M (IC₅₀ 10⁻⁶) while in vivo exposure to ZnCl₂ did not seem to affect ChE activity in the scallop. The potential use of ChE in the A. colbecki as biomarker for monitoring water contamination in the marine Antarctic environment is discussed.     

Ab initio investigations of the charge transport properties of endohedral M@C20 (M= Na and K) metallofullerenes

Using density functional theory and quantum transport calculations based on nonequilibum Green's function formalism, we investigate the charge transport properties of endohedral M@C₂₀ (M= Na and K) metallofullerenes. Our results show that the conductance of C₂₀ fullerene can be obviously improved by insertion of alkali atom at its centre. Both linear and nonlinear sections are found on the I-V curves of the Au-M@C₂₀-Au two-probe systems. The novel negative differential resistance behaviour is also observed in Na@C₂₀ molecule but not in K@C₂₀.     

气体交换速率和时间平均尺度对海-气碳通量估计的影响

基于卫星资料建立的CCMP风场、ECMWF波浪和最新CO₂分压数据, 分别用4种以风速为单参数和2种包含海况影响的双参数气体交换速率公式, 估算了全球海-气CO₂通量, 发现前者的结果比后者平均小30%左右, 从整体上看, 与单参数公式相比, 双参数公式使得海洋中CO₂源和汇的强度均明显增强。在此基础上, 讨论了时间平均尺度对海-气CO₂通量估计的影响, 结果表明, 标量平均法比矢量平均具有更好的稳定性, 但依然使得短时间平均比长时间平均得到的CO₂通量值要大, 月平均与6 h平均相比, 单参数公式和双参数公式分别使海洋的净吸收量减少33%和5%, 说明双参数公式具有较好的稳定性。研究还发现, 1988-2009年间, 全球平均风速有增大的趋势, 2006年前后出现一个极大值, 但相应的CO₂年净通量基本保持稳定, 甚至其绝对值有所减小、海洋的吸收能力减弱的倾向。