研制开发新型的光电材料对促进社会经济发展具有重要的科学意义和实用价值.利用宽禁带CuInO_2铟基材料实现全透明光电材料是目前深入研究的热点.通过基于密度泛函的第一性原理计算方法,本文计算出掺杂元素Mg, Be, Mn在CuInO_2的形成能....研制开发新型的光电材料对促进社会经济发展具有重要的科学意义和实用价值.利用宽禁带CuInO_2铟基材料实现全透明光电材料是目前深入研究的热点.通过基于密度泛函的第一性原理计算方法,本文计算出掺杂元素Mg, Be, Mn在CuInO_2的形成能.计算结果表明,施主类缺陷(如掺杂元素替代Cu原子或进入间隙位置)由于较高的形成能和较深的跃迁能级,很难在CuInO_2材料中出现N型导电;而受主缺陷中,在氧原子化学势极大的情况下, Mg原子替代In能成为CuInO_2理想的受主缺陷.计算结果可为制备性能优异的CuInO_2材料提供指导.展开更多
氧化铟锡(Indium Tin Oxide, ITO)靶材是屏幕显示器、光伏电池、功能玻璃等领域的关键原材料之一,已朝着大尺寸(长度至少600 mm)、高密度、低电阻率和高使用率的方向发展。本文介绍了高性能ITO靶材的技术特征,分析了大尺寸ITO靶材的需...氧化铟锡(Indium Tin Oxide, ITO)靶材是屏幕显示器、光伏电池、功能玻璃等领域的关键原材料之一,已朝着大尺寸(长度至少600 mm)、高密度、低电阻率和高使用率的方向发展。本文介绍了高性能ITO靶材的技术特征,分析了大尺寸ITO靶材的需求和镀膜优势,总结了大尺寸ITO靶材的成型、烧结工艺及其研究应用现状,最后提出了制备大尺寸ITO靶材的研究方向。展开更多
Effects of tetracarbon additives, 1-butanol, 1,4-dioxane and tetrahydrofurane on gibbsite precipitation from caustic seeded sodium aluminate liquor were investigated. The additive was charged into supersaturated seede...Effects of tetracarbon additives, 1-butanol, 1,4-dioxane and tetrahydrofurane on gibbsite precipitation from caustic seeded sodium aluminate liquor were investigated. The additive was charged into supersaturated seeded sodium aluminate liquor, then the precipitation ratio of aluminate liquor in 10 h was evaluated and compared, and the particle size distribution of product was measured. The Mulliken atomic charge of oxygen in the additive molecule was calculated with DMo13 program. The results show that 1-butanol has little effect on gibbsite crystallization, while the precipitation ratios under the effect of 1,4-dioxane and tetrahydrofurane are 1.7% and 3.6% higher than that of the blank, respectively. The agglomeration efficiency of the product is also enhanced obviously by the addition of 1,4-dioxane and tetrahydrofurane. The precipitation ratio is inversely proportional to Mulliken atomic charge of oxygen atom, which implies that functional group in the additive molecule is involved in the gibbsite precipitation process more fundamentally than carbon chain.展开更多
文摘研制开发新型的光电材料对促进社会经济发展具有重要的科学意义和实用价值.利用宽禁带CuInO_2铟基材料实现全透明光电材料是目前深入研究的热点.通过基于密度泛函的第一性原理计算方法,本文计算出掺杂元素Mg, Be, Mn在CuInO_2的形成能.计算结果表明,施主类缺陷(如掺杂元素替代Cu原子或进入间隙位置)由于较高的形成能和较深的跃迁能级,很难在CuInO_2材料中出现N型导电;而受主缺陷中,在氧原子化学势极大的情况下, Mg原子替代In能成为CuInO_2理想的受主缺陷.计算结果可为制备性能优异的CuInO_2材料提供指导.
文摘氧化铟锡(Indium Tin Oxide, ITO)靶材是屏幕显示器、光伏电池、功能玻璃等领域的关键原材料之一,已朝着大尺寸(长度至少600 mm)、高密度、低电阻率和高使用率的方向发展。本文介绍了高性能ITO靶材的技术特征,分析了大尺寸ITO靶材的需求和镀膜优势,总结了大尺寸ITO靶材的成型、烧结工艺及其研究应用现状,最后提出了制备大尺寸ITO靶材的研究方向。
基金Project(2005CB623702) supported by Major State Basic Research Development Program of China
文摘Effects of tetracarbon additives, 1-butanol, 1,4-dioxane and tetrahydrofurane on gibbsite precipitation from caustic seeded sodium aluminate liquor were investigated. The additive was charged into supersaturated seeded sodium aluminate liquor, then the precipitation ratio of aluminate liquor in 10 h was evaluated and compared, and the particle size distribution of product was measured. The Mulliken atomic charge of oxygen in the additive molecule was calculated with DMo13 program. The results show that 1-butanol has little effect on gibbsite crystallization, while the precipitation ratios under the effect of 1,4-dioxane and tetrahydrofurane are 1.7% and 3.6% higher than that of the blank, respectively. The agglomeration efficiency of the product is also enhanced obviously by the addition of 1,4-dioxane and tetrahydrofurane. The precipitation ratio is inversely proportional to Mulliken atomic charge of oxygen atom, which implies that functional group in the additive molecule is involved in the gibbsite precipitation process more fundamentally than carbon chain.