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Search Results: 1 - 10 of 88577 matches for " 胡宏铎 "
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Ag嵌入ZnO(10 0)表面的第一性原理研究
Ag Incorporation on ZnO(10 0) Surface: First Principles Study
 [PDF]

, 陈兰丽
Applied Physics (APP) , 2014, DOI: 10.12677/APP.2014.48018
Abstract:
基于密度泛函理论,采用第一性原理计算了Ag嵌入ZnO(10 0)面的几何结构和导电性以及电子结构,分析了Ag掺杂ZnO(10 0)面的表面结构弛豫和Ag嵌入ZnO (10 0)不同层的形成能情况。计算结果表明:和纯净ZnO(10 0)相比,Ag嵌入ZnO(10 0)受结构弛豫影响比较明显。同时发现,Ag嵌入ZnO(10 0)第一层的形成能最低,因此,Ag嵌入在第一层的情况最稳定,这表明Ag原子更容易集中在表面层,而不是占据体内位置。通过对纯净和掺杂体系的态密度图分析发现,Ag嵌入ZnO(10 0)表面表现为p型特征,有利于p型的制备。然而,Ag嵌入ZnO(10 0)第一层的离化能较高,不利于p型导电。
Based on the density function theory, we have performed first principles calculations of energetic stability and conductive properties and electronic structure of Ag incorporation on ZnO (10 0) surface, and after calculations, we have analyzed the relaxation of the structure and formation energy of Ag incorporation on ZnO (10 0) surface at different layers. Our results show that com-pared with pure ZnO (10 0), there is an obvious effect on the relaxation of the structure for Ag incorporation on ZnO (10 0) surface. Simultaneously, we found that the formation energy of the Ag incorporation on the first layer is the lowest in all cases. Therefore, Ag incorporation on the first layer is the most stable, which indicates that Ag atom prefers to collect in the surface layer instead of the bulk. And we found that the system for Ag incorporation on ZnO (10 0) surface demonstrates as p-type, which is in favors of fabricating p-type material. However, the ionization of Ag incorporation on ZnO (10 0) surface is much higher, which hinders the electronic ionize.

N-S共掺ZnO的电子结构和光学性质的第一性原理研究
First-Principles Investigation of Electronic Structure and Optical Properties in N-S Codoping ZnO
 [PDF]

, 陈兰丽
Applied Physics (APP) , 2014, DOI: 10.12677/APP.2014.44007
Abstract:

为了分析纯净ZnO和N元素的掺入对S掺杂ZnO的电子结构和光学性质的影响,基于密度泛函理论采用第一性原理计算方法,我们研究了各种复合体的缺陷形成能、离化能、态密度、导电率、介电函数和吸收系数。结果发现:3N-S共掺ZnO不仅能提高N受主溶解度,而且可以引起浅受主能级。这表明3N-S共掺能够得到高质量稳定p型ZnO。同时,随着N原子的增加,体系的离化能迅速降低,而体系的导电率增强。另外,通过对介电函数和吸收系数的计算,结果表明3N-S共掺ZnO在低能区有非常奇特的特性。希望不久我们的理论结果能够为实验提供理论依据。
To analyze the electronic structures and optical properties of pure-ZnO and N-S codoped ZnO, the defect formation and ionization energy, density of states, conductivity, dielectric constant and adsorption coefficient of varies complexes were calculated by the first-principles calculation methods based on Density Functional Theory (DFT). It is found that 3N-S codoping in ZnO not only enhances N acceptor solubility, but also leads to shallower acceptor energy, demonstrating that 3N-S codoping can obtain a high-quality and more stable p-type ZnO. Furthermore, as the incorporation of N atoms is increasing, the ionization energies of the complexes are sharply decreasing, and the conductivity of the system is enhanced. In addition, the calculation of the dielectric functions and adsorption spectrum shows that 3N-S codoped ZnO has interesting characteristic in the low-energy region. We expect that this theory study might be helpful for the experimental results.

N掺杂ZnO (100)表面对其电学性质的影响
Influence of N Doping on Electronic Properties of ZnO Surface
 [PDF]

, 陈兰丽
Advances in Condensed Matter Physics (CMP) , 2014, DOI: 10.12677/CMP.2014.34007
Abstract:
基于密度泛函理论的第一性原理计算了N掺杂ZnO (100)表面的形成能和电学性质。首先,我们分析了N掺杂ZnO (100)表面不同层时的结构弛豫情况,接着计算了N掺杂表面的形成能和电子结构。结果表明N掺杂后体系发生较大的晶格畸变。N掺杂块体ZnO的形成能比掺杂表面时的形成低。结果表明N很容易聚集在体内而不是表面。从N掺杂ZnO (100)表面的电子结构中得知,体系的费米能级向价带移动,这主要归因于N-p态,同时体系表现为p型特征。
A theory of formation energy and electronic properties of N doping ZnO (100) surface is proposed on the first principles based on density function theory. First, we have analyzed the relaxation of the structure of N doping ZnO (100) surface at different layers. Later, we have calculated the formation energy and electronic structure of N doping ZnO (100) surface. The results show that there is a large lattice distortion after N doping. And the formation energy is lowest in the bulk ZnO when N is doped in the bulk ZnO. The results show that N atom easily accumulates in the body instead on the surface layers. The calculated electronic structure shows that the Fermi level shifts into the valence band which is contributed by N-p states, and the system after doping demonstrates as p-type.
?加速混沌变尺度混合优化算法
李?,云昌,余建星,
天津大学学报(自然科学与工程技术版) , 2002,
Abstract: 提出了一种加速混沌变尺度混合优化算法(scoa-dfp).首先利用加速混沌算法(scoa)找到一点比较满意的"初始最优点",再以此点为初始值使用变尺度方法(dfp)进行迭代,两种方法交替进行.算法简单明了,性能良好.数值实验表明算法实用有效.
伊犁蒿和草原苔草蒸腾强度的初步研究

草地学报 , 1991, DOI: 10.11733/j.issn.1007-0435.1991.01.013
Abstract: 本文初步研究了伊犁篙和草原苔草的蒸腾强度以及与环境因子的相关性,研究结果表明两种牧草一天的蒸腾强度过程为单峰,草原苔草蒸腾强度大于伊犁蒿,同一种牧草在不同坡向的蒸腾差异不显著,并且根层的土壤温度对蒸腾有显著影响。对在垂直梯度上(150cm和60cm)伊犁蒿蒸腾强度与大气温湿度关联度分析表明,在这两个层次上的温湿度作用不同,从而又进一步用稳态气孔计法进行了生理活动和环境因子之间的相关性分析,从理论上初步讨论了它们之间的辩证关系。
甘肃肃州气象概况

气象学报 , 1936, DOI: 10.11676/qxxb1936.062
Abstract: 国立中央研究院气象研究所肃州测候所自二十三年七月一日起开始观测,至今已有一年余之纪录,其逐日详细纪录已按月载於气象研究所出版之气象月刊中,兹仅择其概要述之如次:(一)气压:气压全年平均约在六四○公厘左右,以各月份平均比较,二十三年十月份为最高,二十四年七月份为最低,相差之数达十公厘以上,全年比较,冬季较夏季为高。
杭州湾流场的研究
李身,
海洋与湖沼 , 1987,
Abstract:
综合防灾理念下城市公共安全设施体系及规划应用
志良,高相
地域研究与开发 , 2012,
Abstract: 城市公共安全基础设施是城市健康持续发展的最基本的物质保障。但无论公共安全管理,还是公共安全规划编制中,都面临着公共安全基础设施整合度不高这一根本问题。从综合防灾的理念出发,横向上构建城市公共安全的防护设施、救助设施和重建设施体系的时间序列,纵向上构建避难空间、防救灾通道、隔离系统、指挥系统等城市公共安全空间体系。期望通过公共安全基础设施体系的建构,推动转型时期我国城市公共安全基础设施的发展建设和城市公共安全规划的编制。
谁说“今不如昔”?——我国图书馆事业概述
韩承,
中国图书馆学报 , 1957,
Abstract:
测定陶瓷材料断裂韧性的压痕弯曲梁法的改进
龚江,关振
硅酸盐学报 , 1991,
Abstract:
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