Structural, electronic and optical properties of orthorhombic distorted perovskite TbMnO3

This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO₃ by first principles using density functional theory within the generalised gradient approximation. The calculated equilibrium lattice constants are in a reasonable agreement with theoretical and experimental data. The energy band structure, density of states and partial density of states of elements are obtained. Band structures show that TbMnO₃ is an indirect band gap between the O 2p states and Mn 3d states, and the band gap is of 0.48 eV agreeing with experimental result. Furthermore, the optical properties, including the dielectric function, absorption coefficient, optical reflectivity, refractive index and energy loss spectrum are calculated and analysed, showing that the TbMnO₃ is a promising dielectric material.     

Structural, curvature and electronic properties of Rh adsorption on armchair single-walled carbon nanotube

This paper systematically studies the rolling effects of the (n, n) single-wall carbon nanotubes (SWCNT) with different curvatures on Rh adsorption behaviours by using density functional theory. The outside charge densities of SWCNTs are found to be higher than those inside, and the differences decrease with the increase of the tube radius. This electronic property led to the discovery that the outside adsorption energies are higher than the inside ones, and that the differences are reduced with the increase of the tube radius. Partial density of states and charge density difference indicate that these strong interactions induce electron transfer between Rh atoms and SWCNTs.     

Investigation on performance of all optical buffer with large dynamical delay time based on cascaded double loop optical buffers

Optical buffers are critical for optical signal processing in future optical packet-switched networks. In this paper, a theoretical study as well as an experimental demonstration on a new optical buffer with large dynamical delay time is carried out based on cascaded double loop optical buffers (DLOBs). It is found that pulse distortion can be restrained by a negative optical control mode when the optical packet is in the loop. Noise analysis indicates that it is feasible to realise a large variable delay range by cascaded DLOBs. These conclusions are validated by the experiment system with 4-stage cascaded DLOBs. Both the theoretical simulations and the experimental results indicate that a large delay range of 1--9999 times the basic delay unit and a fine granularity of 25 ns can be achieved by the cascaded DLOBs. The performance of the cascaded DLOBs is suitable for the all optical networks.     

Temporal electronic structure of non-resonant Raman excited virtual state of P-nitroaniline by 514 nm excitation via bond polarisabilities

We have studied the temporal bond polarisabilities of para-nitroaniline from the Raman intensities by the algorithm proposed by Wu et al. in 1987 (Tian B, Wu G, Liu G 1987 J. Chem. Phys. 87 7300). The bond polarisabilities provide much information concerning the electronic structure of the non-resonant Raman excited virtual state. At the initial moment by the 514.5 nm excitation, the tendency of the excited electrons (mapped out by the bond polarisabilities) is to spread to the molecular periphery, and the electronic structure of the Raman virtual state is close to the pseudo-quinonoidic state. When the final stage of relaxation is approached, the bond polarisabilities of those peripheral bonds relax faster than those closer to the molecular core, the phenyl ring. The molecule is in the benzenoidic form as demonstrated by the bond polarisabilities after relaxation.     

Influence of core property on multi-electron process in slow collisions of isocharged sequence ions with neon

Influence of core property on multi-electron process in the collisions of q=6-9 and 11 isocharged sequence ions with Ne is investigated in the keV/u region. The cross-section ratios of double-, triple-, quadruple- and total multi-electron processes to the single electron capture process as well as the partial ratios of different reaction channels to the relevant multi-electron process are measured by using position-sensitive and time-of-flight techniques. The experimental data are compared with the theoretical predictions including the extended classical over-barrier model, the molecular Columbic barrier model and the semi-empirical scaling law. Results show a core effect on multi-electron process of isocharge ions colliding with Neon, which is consistent with the results of Helium we obtained previously.     

Diurnal variation of nitric oxide emission flux from a mangrove wetland in Zhangjiang River Estuary,China

The diurnal variation of nitric oxide (NO) emission fluxes from a Kandelia obovata and Avicennia marina mangrove wetland were studied in the Zhangjiang River Estuary Mangrove National Nature Reserve using a dynamic chamber-based technique and a chemiluminescent analyzer. Results from field experiments show that NO emission from K. obovata and A. marina sampling sites reached maximal values of 1.07 ng N m⁻² s⁻¹ and 1.23 ng N m⁻² s⁻¹, respectively after the night tide. Meanwhile NO emission maintained at a steady lower level in daytime for both wetland sites. In laboratory experiments, NO emission from the mangrove wetland soil samples treated with simulated tides in the darkness exhibited higher values than those in the light, therefore it seems that tides and darkness could increase NO emission from mangrove wetlands, while intensive light, high temperature, and dryness in the daytime decreased NO emission. Compared with K. obovata soil samples, the diurnal average NO emission rate of the A. marina site was significantly higher, which was closely related to relatively higher diurnal average CO₂ emission rate, soil available nitrogen content and soil net nitrification rate of the A. marina site. Moreover, soil samples of the A. marina site were more responsive to simulated tides and the addition of nitrogen than those of the K. obovata site.     

北黄海水体的226Ra和228Ra

用锰纤维富集-射气法测定了北黄海海水中的镭同位素226Ra和228Ra,研究了该海域水体中镭同位素的含量和分布.研究结果表明北黄海水体夏季226Ra的比活度为1.80～4.35 Bq/m3,平均值为3.06 Bq/m3;冬季226Ra的比活度为2.08～5.20 Bq/m3,平均值为3.28 Bq/m3.北黄海夏季228Ra的比活度为3.85～25.60 Bq/m3,平均值为10.60 Bq/m3;冬季228Ra的比活度为3.14～15.60Bq/m3,平均值为7.66 Bq/m3.该数据范围和中国近海其他海域、孟加拉湾、泰国昭披耶河口、濑户内海等海域相近.北黄海东北部海域,渤海海峡靠近山东半岛的海区和中北部海区表层镭同位素活度较高.C1断面镭同位素的分布特征从镭同位素的方面证实了渤海海峡水交换表现为北进南出特征这一结论的正确性.226Ra和228Ra的垂直分布较为复杂,大部分站位呈现出底层活度变高的趋势,其他少数站位呈现出中间层活度高的分布特征,不同来源的镭同位素输入至该海域形成了这样的分布特征.     

哈拉哈塘地区东河砂岩段-角砾岩段沉积模式探讨

塔北的哈拉哈塘地区是东河砂岩油气勘探的重点地区,该地区目前已发现并探明了东河塘和哈得4两个东河砂岩油气藏,油气储量丰富,显示出良好的勘探前景。基于哈拉哈塘地区东河砂岩段和角砾岩段的岩性段穿时沉积现象异常明显,根据层序地层学原理和方法对哈拉哈塘地区东河砂岩段一角砾岩段进行了重新分层和对比,在层序分层等时地层框架的基础上重新进行了东河砂岩段一角砾岩段沉积模式研究,弄清该地区地层分布规律、演化规律、砂体分布及储层分布规律对该地区的油气勘探具有重要指导意义。     

Analysis and prediction of household carbon emission in northwest China北大核心CSCD

The economic development, living standard of residents and carbon emissions in Northwest China are lower than the national average. However,with the favorable policies the economic development is being improved and the household living standard is gradually raised up which will lead to an increase of the residents living carbon emissions, and the emission pattern will also be affected. This is detrimental to the fragile ecological environment of the Northwest China. At present, most of the researches on residents' carbon emissions are focused on the eastern and southern regions of China where there are frequent and significant human activities and high carbon emissions, and less attention has been paid to the northwest region, but the increase of carbon emissions and the increase of environmental costs have a more far-reaching impact on the less developed areas. In addition, when researchers pay attention to the prediction of residents' carbon emissions, they usually focus on the quantitative prediction and ignore the spatial pattern prediction, which is not conducive to the coordinated development between regions. Based on the data of energy consumption and consumption expenditure in the five provinces of Northwest China, including Shaanxi, Gansu, Qinghai, Ningxia and Xinjiang from 1997 to 2016, this paper firstly used the direct coefficient method to measure the residents' direct carbon emissions, and the input-output method to calculate the indirect carbon emissions of the residents and analyzes the present situation of residents' carbon emissions in the northwest region. Secondly, based on standard deviation ellipse and Autoregressive Integrated Moving Average Model, the carbon emissions of residents in Northwest China were predicted in terms of quantity and spatial pattern from 2017 to 2021. Major results are listed as follows: From 1997 to 2016, household carbon emissions in Northwest China showed a rising trend with an initial slow pace followed by a quick pace. The direct carbon emissions were stabilized in the range from 0. 3 × 108 t to 0. 4 × 108 t,and the indirect carbon emissions reached 2. 38 × 108 t. The spatial distribution of household carbon emissions in Northwest China was generally steady with a direction pattern from northwest to southeast. And the moving trend of standard deviation ellipse was from northwest to southeast to northwest, and the center of standard deviation ellipse moved around the point of (99. 07 °E,38. 19°N). From 2017 to 2021, the direct household carbon emissions in Northwest China reach to 0.543 × 108 t and the indirect carbon emissions are 3. 631 × 108 t by 2021. With the development of the western region in China and the promotion of poverty alleviation,Xinjiang Province had a lower emission than Shaanxi,but it had the higher growth rate than Shaanxi. These factors are all driving the main areas of carbon emission northwestward. The purpose of this paper is to recommend how to coordinate between the population and consumption and the environment, leading citizens to establish the value of low-carbon consumption. © 2019 Science Press (China). All rights reserved.     

张掖盆地地下水硝酸盐污染与人体健康风险评价

地下水是张掖盆地的重要水资源,其硝酸盐污染尚未得到足够重视。对张掖盆地2004、2015年地下水硝酸盐浓度进行了系统分析,并采用美国环境保护署（USEPA）推荐的健康风险评价模型评估了地下水硝酸盐的健康风险。结果表明：自2004年以来张掖盆地地下水硝酸盐污染日趋严重。2015年硝酸盐浓度最高已达到283.32 mg·L^-1,17.61%的采样点硝酸盐氮浓度超过GB5749-2006《生活饮用水卫生标准》中饮用地下水限量值（20 mg·L^-1）。研究区人群经皮肤接触途径摄入硝酸盐的健康风险在可接受水平,而饮水摄入硝酸盐的健康风险较高,总风险中饮水途径引起健康风险的贡献率占99.40%,远大于皮肤接触途径。儿童经饮水摄入和皮肤接触两种途径的健康风险均显著高于成人,分别为成人的1.544倍和1.039倍。32.39%的采样点地下水硝酸盐对儿童的健康风险超出了可接受水平,14.79%的采样点地下水硝酸盐对成人的健康风险不可接受。甘州区城区、临泽县北部边缘及高台县城区周围硝酸盐浓度最高,这些区域内所有人群都面临硝酸盐引发的高健康风险,其余区域硝酸盐引发的健康风险相对较低。