Electronic structure,mechanical and optical properties of ternary semiconductors Si1-xGexC (X = 0, 0.25, 0.50, 0.75, 1)

The electronic structure of silicon carbide with increasing germanium content have been examined using first principles calculations based on density functional theory. The structural stability is analysed between two different phases, namely, cubic zinc blende and hexagonal phases. The zinc blende structure is found to be the stable one for all the Si_1-xGe_xC semiconducting carbides at normal pressure. Effect of substitution of Ge for Si in SiC on electronic and mechanical properties is studied. It is observed that cubic SiC is a semiconductor with the band gap value 1.243?eV. The band gap value of SiC is increased due to the substitution of Ge and the band gap values of Si _0.75 Ge _0.25 C, Si _0.50 Ge _0.50 C, Si _0.25 Ge _0.75 C and GeC are 1.322 eV, 1.413 eV, 1.574 eV and 1.657?eV respectively. As the pressure is increased, it is found that the energy gap gets decreased for Si_1-x Ge_xC (X?=?0, 0.25, 0.50, 0.75, 1). The elastic constants satisfy the Born – Huang elastic stability criteria. The bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio are also calculated and compared with the other available results.     

氮掺杂的石墨烯作为钠离子电池负极材料的第一性原理研究

采用基于密度泛函理论的第一性原理方法,研究了本征石墨烯、氮掺杂的石墨烯和叽咯石墨烯吸附钠原子的电荷密度、吸附能、态密度和储存量.结果表明,三种石墨烯中,钠原子的最佳吸附位置为H位.与本征石墨烯相比,氮掺杂的石墨烯对钠原子的吸附能提高,叽咯石墨烯对钠原子的吸附能是-3.274 eV,约为本征石墨烯对钠原子吸附能的1.7倍.钠原子与叽咯石墨烯中的氮原子发生轨道杂化,而与本征石墨烯和氮掺杂的石墨烯没有发生轨道杂化现象.叽咯石墨烯能够吸附10个钠原子,与本征石墨烯相比显著提高,氮掺杂的石墨烯只能吸附4个钠原子.因此,叽咯石墨烯有望成为一种潜在的储钠材料.     

基于跨文化视角的旅游地视觉表征差异分析——以中美游客镜头下的西藏为例

旅游地摄影是旅游者自身对目的地的视觉表征,通过潜在游客对目的地的形象感知影响其旅游决策.旅游地摄影被旅游企业视为旅游地视觉营销的重要策略.基于跨文化视角,以中美旅游者拍摄且上传网络的西藏旅游照片为研究对象,采用内容分析法、卡方检验、社会网络分析法和空间分析法,借助NVivo11.0、SPSS22.0、Ucinet6和ArcGIS10.2软件,探寻中美游客摄影图片对西藏视觉表征的差异,以期为旅游目的地定向营销提供参考依据.研究发现：（1）从照片编码树状节点频数来看,雄壮瑰丽的自然景观、虔诚的佛教信徒、神秘的民族非物质文化是西藏旅游形象的核心要素和符号.（2）从照片树状节点类目间差异分析来看,两组照片在自然景观、民族非物质文化、户外活动、舞台化表演和衣饰6个类目上存在统计学差异.中国旅游者的照片更倾向于表征自然景观、当地人生活细节、户外活动和精心设计的舞台化表演.美国游客的照片则更侧重于对原真性的民族非物质文化和绚丽多彩、独特别致的民族服饰的表征.（3）从照片"聚合形象地图"来看,美国样本的聚合形象地图较为复杂和多样化,而中国样本则相对简单有条理.（4）从中美游客地理摄影偏好来看,游客最爱拉萨.除此之外,中国游客更为偏爱那曲地区,而美国游客却更倾向于山南和日喀则地区.     

高地应力破碎围岩隧道变形受力特征试验研究

高地应力破碎围岩地层在开挖隧道过程中极易发生大变形、钢架扭曲、局部垮塌等灾害。以天平铁路关山隧道为依托,通过监测两个试验段内的围岩压力、初期支护受力与变形、二次衬砌混凝土应力的分布特征,来探讨高地应力破碎围岩地层中不同断面形式和支护参数情况下隧道支护结构的变形与受力特征。结果表明:在以水平地应力为主的破碎围岩地层中,隧道开挖引起的变形以边墙水平收敛为主,拱顶沉降次之;高边墙小曲率断面形式的单线铁路隧道受力和变形均较大,而增大边墙曲率可有效抑制隧道开挖引起的变形,使支护结构受力更为均匀,受力状态明显改善。研究可为高地应力破碎围岩地层中隧道设计提供一定的参考。     

砖隔墙抗爆特性及泄漏空气冲击波效应

为获得转隔墙抗爆特性及泄漏空气冲击波传播规律,通过不同装药量、不同爆距砖隔墙前爆炸墙后泄漏空气冲击波传播试验,以及无砖隔墙对比试验,获得砖隔墙的毁伤特征和空气冲击波实测波形,据此提出砖隔墙破坏等级划分及特征描述,对有无砖隔墙空气冲击波实测波形进行对比分析。结果表明:空气冲击波波形结构和冲击波特征参量(峰值、作用时间等)均存在明显差异;冲击波超压峰值随着传播距离下降的幅度与药量密切相关,随着药量的提高趋于平缓。     

单向低频振动对铀尾矿库滩面氡析出影响的实验研究

我国地震多发且一般属于低频振动,其对铀尾矿库滩面具有影响。通过自制双向水平振动台氡析出测试装置,制作了φ100 mm×300 mm (250 mm铀尾砂加盖50 mm的红土)分层压实的铀尾矿库模拟滩面模型,分析对比了振动前后铀尾矿库滩面氡析出率变化规律。试验研究表明:在前后方向水平振动(10,20,30 Hz)条件下,滩面氡析出率总体呈现先上升后下降规律,左右水平振动条件下,滩面氡析出率呈现先下降后上升。红土覆盖层覆盖后,氡析出率有所降低。综上所述,低频振动对于铀尾矿库滩面氡析出的影响较大,试验结果可以铀尾矿库退役治理提供一定的理论参考。     

关注学科知识的职前化学教师自主研修——基于“化学师范生备课组”的活动个案

学科知识是师范生专业素质的重要组成部分,研究基于化学师范生备课组以学科知识强化为主题的研修活动,从备课选题、研修过程、问题批判等方面探讨化学师范生学科知识强化新途径,评析化学师范生备课组的价值。     

Biophysical and electrochemical properties of Self-assembled noncovalent SWNT/DNA hybrid and electroactive nanostructure

DNA self-assembled hybrid nanostructures are widely used in recent research in nanobiotechnology. Combination of DNA with carbon based nanoparticles such as single-walled carbon nanotube (SWNT), multi-walled carbon nanotube (MWNT) and carbon quantum dot were applied in important biological applications. Many examples of biosensors, nanowires and nanoelectronic devices, nanomachine and drug delivery systems are fabricated by these hybrid nanostructures. In this study, a new hybrid nanostructure has been fabricated by noncovalent interactions between single or double stranded DNA and SWNT nanoparticles and biophysical properties of these structures were studied comparatively. Biophysical properties of hybrid nanostructures studied by circular dichroism, UV–vis and fluorescence spectroscopy techniques. Also, electrochemical properties studied by cyclic voltammetry, linear sweep voltammetry, square wave voltammetry, choronoamperometry and impedance spectroscopy (EIS). Results revealed that the biophysical and electrochemical properties of SWNT/DNA hybrid nanostructures were different compare to ss-DNA, ds-DNA and SWNT singly. Circular dichroism results showed that ss-DNA wrapped around the nanotubes through π-π stacking interactions. The results indicated that after adding SWNT to ss-DNA and ds-DNA intensity of CD and UV–vis spectrum peaks were decreased. Electrochemical experiments indicated that the modification of single-walled carbon nanotubes by ss-DNA improves the electron transfer rate of hybrid nanostructures. It was demonstrated SWNT/DNA hybrid nanostructures should be a good electroactive nanostructure that can be used for electrochemical detection or sensing.     

冻融循环作用下再生混凝土砖砌体通缝受剪试验研究

本文报导了对冻融循环作用下96个再生混凝土砖砌体抗剪试件进行的沿通缝抗剪试验。研究涉及冻融循环对再生混凝土砖砌体抗剪力学性能的影响,对比分析不同胶结材料试件的破坏形态及其抗剪强度,揭示冻融损伤对再生混凝土砖砌体抗剪强度的影响规律,并从微观角度探讨砂浆孔隙变化对砖砌体抗剪承载力的影响,建立再生混凝土砖砌体抗剪强度冻融损伤衰减模型。结果表明:砖砌体抗剪强度受冻融环境影响非常明显,其抗剪强度随冻融循环次数的增加而降低,降低的速度呈现出先慢后快的趋势;粉煤灰的加入有助于改善冻融环境下砖砌体的抗剪能力;对于石灰砂浆抗剪试件,初期的抗剪能力及冻融后的抗剪能力均下降;建立了考虑冻融损伤影响的砖砌体抗剪强度衰减模型,试验数据与计算结果吻合较好。