Dynamics and manipulation of ferroelectric domain walls in bismuth ferrite thin films

Ferroelectric domain walls differ from domains not only in their crystalline and discrete symmetry, but also in their electronic, magnetic, and mechanical properties. Although domain walls provide a degree of freedom to regulate the physical properties at the nanoscale, the relatively lower controllability prevents their practical applications in nano-devices. In this work, with the advantages of 3D domain configuration detection based on piezoresponse force microscopy, we find that the mobility of three types of domain walls (tail-to-tail, head-to-tail, head-to-head) in (001) BiFeO₃ films varies with the applied electrical field. Under low voltages, head-to-tail domain walls are more mobile than other domain walls, while, under high voltages, tail-to-tail domain walls become rather active and possess relatively long average lengths. This is due to the high nucleation energy and relatively low growth energy for charged domain walls. Finally, we demonstrate the manipulation of domain walls through successive electric writings, resulting in well-aligned conduction paths as designed, paving the way for their application in advanced spintronic, memory and communication nano-devices.     

北京市大气污染治理现状及面临的机遇与挑战

"大气十条"实施以来,全国城市PM_(2.5)浓度呈下降趋势,预期能够实现国家规定的2017年空气质量改善目标。若按现有力度措施,北京市2017年PM_(2.5)浓度达到年均值60μg/m~3左右的目标难以实现,同时臭氧(O_3)污染迅速抬头。未来两年必须下决心采取超常规措施破解北京大气污染防治中的若干难点问题,才能突破大气污染治理瓶颈,达到预定目标。     

广东省能源消费总量控制面临问题及对策建议

能源是现代化的基础和动力,事关现代化建设全局。在解读我国能源消费总量控制相关政策要求的基础上,通过国际国内多维度对标指出广东省能源消费水平处于国内领先、国际先进地位,但面临国家下达的能源消费总量控制指标缺口以及总量与强度控制指标不匹配、制约结构清洁低碳化、难以支撑重大项目、统计纳入炼化项目非能耗、约束电气化进程等6大问题,提出严控新增煤炭消费,大力发展绿色低碳能源,创新统计考核机制等针对性措施建议,以期为广东省有效推进能源消费总量控制工作提供参考。     

低维结构铁电材料光电性能和铁电薄膜红外焦平面列阵器件物理研究

系统研究了晶粒尺寸对铁电性、相结构、晶格动力学和光致发光等性质的影响。研究了择优取向钛锆酸铅铁电薄膜异质结构的取向机理、光学常数以及电学性质,并采用建模的方法分析了影响铁电薄膜红外探测器的因素     

中国主要大气污染物和温室气体的排放特征与关联性

摸清我国大气污染物和温室气体排放的特征和关系,对制定大气污染物与温室气体的协同控制的相关政策具有重要的现实指导意义。选取中国大陆30个省（市、自治区）1995年-2010年省际和行业面板数据,应用数理统计分析方法对中国SO2和CO2的排放特征及二者的关联性进行了研究。结果显示：SO2、CO2排放总量的年际变化趋势相似;SO2排放总量地区排放特征为西部〉东部〉中部〉东北地区,CO2排放总量地区排放特征为东部〉中部〉西部〉东北地区,但西部地区的排放强度远高于中东部和东北地区;绝大部分的SO2和CO2排放量来自电力、热力行业,黑色金属行业,非金属矿物制品业和化学原料及化学制品制造业4个行业,其中,电力、热力行业的排放量最大,2010年电力、热力行业排放的SO2和CO2分别占行业排放总量的53％和55％;我国SO2和CO2排放量的相关系数r为0．806,且r西部〉r中部〉r东北〉r东部,各地区之间由于治理水平的差距导致相关性差异显著。     

国内发展新型科研机构的举措和动向分析

通过收集各渠道资料,分析近年来有关新型科研机构的政策、文件、调研等一系列活动,指出新型科研机构已成为今后发展的重要方面;并通过对国内新型科研机构的发展举措和动向进行梳理,提出促进新型科研机构发展的相关建议。     

Correlating the electronic structures of metallic/semiconducting MoTe2 interface to its atomic structures

Contact interface properties are important in determining the performances of devices that are based on atomically thin two-dimensional (2D) materials, especially for those with short channels. Understanding the contact interface is therefore important to design better devices. Herein, we use scanning transmission electron microscopy, electron energy loss spectroscopy, and first-principles calculations to reveal the electronic structures within the metallic (1T^′)-semiconducting (2H) MoTe₂ coplanar phase boundary across a wide spectral range and correlate its properties to atomic structures. We find that the 2H-MoTe₂ excitonic peaks cross the phase boundary into the 1T^′ phase within a range of approximately 150 nm. The 1T^′-MoTe₂ crystal field can penetrate the boundary and extend into the 2H phase by approximately two unit-cells. The plasmonic oscillations exhibit strong angle dependence, that is a red-shift of π+σ (approximately 0.3–1.2 eV) occurs within 4 nm at 1T^′/2H-MoTe₂ boundaries with large tilt angles, but there is no shift at zero-tilted boundaries. These atomic-scale measurements reveal the structure–property relationships of the 1T^′/2H-MoTe₂ boundary, providing useful information for phase boundary engineering and device development based on 2D materials.     

Exposed facet-controlled N2 electroreduction on distinct Pt3Fe nanostructures of nanocubes,nanorods and nanowires

Understanding the correlation between exposed surfaces and performances of controlled nanocatalysts can aid effective strategies to enhance electrocatalysis, but this is as yet unexplored for the nitrogen reduction reaction (NRR). Here, we first report controlled synthesis of well-defined Pt₃Fe nanocrystals with tunable morphologies (nanocube, nanorod and nanowire) as ideal model electrocatalysts for investigating the NRR on different exposed facets. The detailed electrocatalytic studies reveal that the Pt₃Fe nanocrystals exhibit shape-dependent NRR electrocatalysis. The optimized Pt₃Fe nanowires bounded with high-index facets exhibit excellent selectivity (no N₂H₄ is detected), high activity with NH₃ yield of 18.3 μg h⁻¹ mg⁻¹_cat (0.52 μg h⁻¹ cm⁻²_ECSA; ECSA: electrochemical active surface area) and Faraday efficiency of 7.3% at −0.05 V versus reversible hydrogen electrode, outperforming the {200} facet-enclosed Pt₃Fe nanocubes and {111} facet-enclosed Pt₃Fe nanorods. They also show good stability with negligible activity change after five cycles. Density functional theory calculations reveal that, with high-indexed facet engineering, the Fe-3d band is an efficient d-d coupling correlation center for boosting the Pt 5d-electronic exchange and transfer activities towards the NRR.     

Detection of preanalytical errors in arterial blood gas analysis

IntroductionBlood gas analysis (BGA) is an essential test used for years to provide vital information in critically ill patients. However, the instability of the blood gases is a problem. We aimed to evaluate time and temperature effects on blood gas stability.Materials and methodsArterial blood was collected from 20 patients into syringes. Following BGA for baseline, syringes were divided into groups to stand at 4°C and 22°C for 30, 60, 90, 120 minutes. All were tested for pH, partial pressure of carbon dioxide (pCO₂), partial pressure of oxygen (pO₂), oxygen saturation (sO₂), oxyhemoglobin (O₂Hb), sodium, potassium, glucose, lactate, oxygen tension at 50% hemoglobin saturation (p50), and bicarbonate. A subgroup analysis was performed to detect the effect of air on results during storage. Percentage deviations were calculated and compared against the preset quality specifications for allowable total error.ResultsAt 4°C, pO₂ was the least stable parameter. At 22°C, pO₂ remained stable for 120 min, pH and glucose for 90 min, lactate and pCO₂ for 60 min. Glucose and lactate were stable when chilled. Air bubbles interfered pO₂ regardless of temperatures, whereas pCO₂ increased significantly at 22°C after 30 min, and pH decreased after 90 min. Bicarbonate, sO₂, O₂Hb, sodium, and potassium were the unaffected parameters.ConclusionsCorrect BGA results are essential, and arterial sample is precious. Therefore, if immediate analysis cannot be performed, up to one hour, syringes stored at room temperature will give reliable results when care is taken to minimize air within the blood gas specimen.     

Anisotropic alignments of hierarchical Li2SiO3/TiO2 @nano-C anode//LiMnPO4@nano-C cathode architectures for full-cell lithium-ion battery

We report on low-cost fabrication and high-energy density of full-cell lithium-ion battery (LIB) models. Super-hierarchical electrode architectures of Li₂SiO₃/TiO₂@nano-carbon anode (LSO.TO@nano-C) and high-voltage olivine LiMnPO₄@nano-carbon cathode (LMPO@nano-C) are designed for half- and full-system LIB-CR2032 coin cell models. On the basis of primary architecture-power-driven LIB geometrics, the structure keys including three-dimensional (3D) modeling superhierarchy, multiscale micro/nano architectures and anisotropic surface heterogeneity affect the buildup design of anode/cathode LIB electrodes. Such hierarchical electrode surface topologies enable continuous in-/out-flow rates and fast transport pathways of Li⁺-ions during charge/discharge cycles. The stacked layer configurations of pouch LIB-types lead to excellent charge/discharge rate, and energy density of 237.6 Wh kg⁻¹. As the most promising LIB-configurations, the high specific energy density of hierarchical pouch battery systems may improve energy storage for long-driving range of electric vehicles. Indeed, the anisotropic alignments of hierarchical electrode architectures in the large-scale LIBs provide proof of excellent capacity storage and outstanding durability and cyclability. The full-system LIB-CR2032 coin cell models maintain high specific capacity of ∼89.8% within a long-term life period of 2000 cycles, and average Coulombic efficiency of 99.8% at 1C rate for future configuration of LIB manufacturing and commercialization challenges.     

Recent advances in the synthesis of hierarchically mesoporous TiO2 materials for energy and environmental applications

Because of their low cost, natural abundance, environmental benignity, plentiful polymorphs, good chemical stability and excellent optical properties, TiO₂ materials are of great importance in the areas of physics, chemistry and material science. Much effort has been devoted to the synthesis of TiO₂ nanomaterials for various applications. Among them, mesoporous TiO₂ materials, especially with hierarchically porous structures, show great potential owing to their extraordinarily high surface areas, large pore volumes, tunable pore structures and morphologies, and nanoscale effects. This review aims to provide an overview of the synthesis and applications of hierarchically mesoporous TiO₂ materials. In the first section, the general synthetic strategies for hierarchically mesoporous TiO₂ materials are reviewed. After that, we summarize the architectures of hierarchically mesoporous TiO₂ materials, including nanofibers, nanosheets, microparticles, films, spheres, core-shell and multi-level structures. At the same time, the corresponding mechanisms and the key factors for the controllable synthesis are highlighted. Following this, the applications of hierarchically mesoporous TiO₂ materials in terms of energy storage and environmental protection, including photocatalytic degradation of pollutants, photocatalytic fuel generation, photoelectrochemical water splitting, catalyst support, lithium-ion batteries and sodium-ion batteries, are discussed. Finally, we outline the challenges and future directions of research and development in this area.     

Mo_3Al_2C力学及电子性质的第一性原理研究

采用基于密度泛函理论的势平面波方法,在0-50 GPa压力作用下,对立方结构Mo3Al2C的力学性质和电子性质进行了研究。计算表明,计算得到的晶格常数与实验值符合的很好,立方结构的Mo3Al2C晶体在0-50 GPa压力下是稳定结构,块体模量,剪切模量,杨氏模量和不可压缩性随着压强的增加而增大而晶格常数和体积逐渐降低。B/G=2.26,表明这个材料是延性材料。电子性质的分析表明,Mo3Al2C表现出金属性,化学键是共价键与离子键的混合。     

Selective catalytic reduction of NOx with NH3: opportunities and challenges of Cu-based small-pore zeolites

Zeolites, as efficient and stable catalysts, are widely used in the environmental catalysis field. Typically, Cu-SSZ-13 with small-pore structure shows excellent catalytic activity for selective catalytic reduction of NO_x with ammonia (NH₃-SCR) as well as high hydrothermal stability. This review summarizes major advances in Cu-SSZ-13 applied to the NH₃-SCR reaction, including the state of copper species, standard and fast SCR reaction mechanism, hydrothermal deactivation mechanism, poisoning resistance and synthetic methodology. The review gives a valuable summary of new insights into the matching between SCR catalyst design principles and the characteristics of Cu²⁺-exchanged zeolitic catalysts, highlighting the significant opportunity presented by zeolite-based catalysts. Principles for designing zeolites with excellent NH₃-SCR performance and hydrothermal stability are proposed. On the basis of these principles, more hydrothermally stable Cu-AEI and Cu-LTA zeolites are elaborated as well as other alternative zeolites applied to NH₃-SCR. Finally, we call attention to the challenges facing Cu-based small-pore zeolites that still need to be addressed.     

中国区域全要素能源效率收敛性及影响因素分析——基于Malmqulist-Luenberger指数法

本文将能源和非期望产出二氧化碳纳入生产率分析框架中,基于序列DEA的方向性距离函数及Malmqulist-Luenberger指数测度了1999年-2010年我国28个省、市、区及东、中、西三大区域的全要素能源效率的动态变化及其分解变量。实证结果表明:不考虑碳排放约束下的全要素能源效率被高估,而考虑碳排放约束后我国的产业结构得到了优化调整,呈现出规模效率的提升。从区域差异来看,1999年-2010年间我国三大区域全要素能源效率东部最高、中部次之、西部最低,其中西部区域其收敛速度要高于中部、及东部区域,各区域的全要素能源效率存在趋同的趋势。影响因素分析结果可知:我国2000年后经济发展与全要素能源效率指数呈现"U"型趋势;技术效应对中部,西部区域的全要素能源效率具有促进作用;产业结构的调整对中、西部区域的全要素能源效率有显著的抑制作用;对外开放度、产权所有制结构、政府支持力度对全国的全要素能源效率的有显著的促进作用,并且对中、西部的贡献比例较大。     

Exploring atmospheric free-radical chemistry in China: the self-cleansing capacity and the formation of secondary air pollution

Since 1971, it has been known that the atmospheric free radicals play a pivotal role in maintaining the oxidizing power of the troposphere. The existence of the oxidizing power is an important feature of the troposphere to remove primary air pollutants emitted from human beings as well as those from the biosphere. Nevertheless, serious secondary air-pollution incidents can take place due to fast oxidation of the primary pollutants. Elucidating the atmospheric free-radical chemistry is a demanding task in the field of atmospheric chemistry worldwide, which includes two kinds of work: first, the setup of reliable radical detection systems; second, integrated field studies that enable closure studies on the sources and sinks of targeted radicals such as OH and NO₃. In this review, we try to review the Chinese efforts to explore the atmospheric free-radical chemistry in such chemical complex environments and the possible link of this fast gas-phase oxidation with the fast formation of secondary air pollution in the city-cluster areas in China.     

Diagnostic potential of fractionatedMycobacterium tuberculosis H37Ra excretory-secretory (EST-DE1) antigen in pulmonary tuberculosis

Tuberculosis is emerging as a major public health problem in developing and developed world. Early and precise diagnosis is of prime importance in successful control of infection. Indirect ELISA with penicillinase as marker was developed using purifiedM. tuberculosis excretory-secretory (EST-DE₁) antigen for detecting IgG antibodies in pulmonary tuberculosis. The assay System gave a overall sensitivity of 82% for both smear positive and smear negative pulmonary tuberculosis cases with a specificity of 84%. The positive and negative predictive values were 75% and 88% respectivaly. Further studies with EST-DE₁ antigen revealed that, it contains two of the active antigen fractions of Mtb EST antigen i.e. Mtb EST-4 (56–68 KDa) and Mtb EST-6 (37–45 KDa), as demonstrated by inhibition ELISA. Reactivity with monoclonal antibodies HGT 3a showed the presence of 38 KDa molecule in EST-DE₁ antigen.     

Direct and green repairing of degraded LiCoO2 for reuse in lithium-ion batteries

Traditional recycling processes of LiCoO₂ rely on destructive decomposition, requiring high-temperature roasting or acid leaching to extract valuable Li and Co, which have significant environmental and economic concerns. Herein, a direct repairing method for degraded LiCoO₂ using a LiCl–CH₄N₂O deep eutectic solvent (DES) was established. The DES is not used to dissolve LiCoO₂ but directly serves as a carrier for the selective replenishment of lithium and cobalt. Replenishment of lithium restores LiCoO₂ at different states of charge to a capacity of 130 mAh/g (at 0.1 C rate), while replenishing the cobalt increases the capacity retention rate of 90% after 100 cycles, which is comparable to pristine LiCoO₂. The DES is collected and reused multiple times with a high repair efficiency. This process reduces energy consumption by 37.1% and greenhouse gas emissions by 34.8% compared with the current production process of LiCoO₂, demonstrating excellent environmental and economic viability.     

Enantioselective assembly of multi-layer 3D chirality

The first enantioselective assembly of sandwich-shaped organo molecules has been achieved by conducting dual asymmetric Suzuki-Miyaura couplings and nine other reactions. This work also presents the first fully C-C anchored multi-layer 3D chirality with optically pure enantiomers. As confirmed by X-ray diffraction analysis that this chiral framework is featured by a unique C₂-symmetry in which a nearly parallel fashion consisting of three layers: top, middle and bottom aromatic rings. Unlike the documented planar or axial chirality, the present chirality shows its top and bottom layers restrict each other from free rotation, i.e., this multi-layer 3D chirality would not exist if either top or bottom layer is removed. Nearly all multi-layered compounds showed strong luminescence of different colors under UV irradiation, and several randomly selected samples displayed aggregation-induced emission (AIE) properties. This work is believed to have broad impacts on chemical, medicinal and material sciences including optoelectronic materials in future.     

Study of apolipoproteinc3 Sstl polymorphism in healthy volunteers from Northern India

Several studies including a small case-control (hypertriglyceridemic/normotriglyceridemic individuals) study by us revealed close association between rare S2 allele ofAPOC3 Sstl polymorphism and hypertriglyceridemia. With the understanding that Asian Indians are highly vulnerable to the adverse effects of hypertriglyceridemia, we extended the investigation and studied the frequency distribution of this polymorphism in 216 healthy volunteers from Northern plains of India. We found that more than 50% of the study population had one or two S2 allele. This may suggest that a larger fraction of this population is genetically predisposed to hypertriglyceridemia.