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Ni-Zr非晶玻璃的形成能力随成分变化的分子动力学模拟 被引量:1
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作者 王艳伟 李洋洋 《哈尔滨师范大学自然科学学报》 CAS 2016年第5期51-55,共5页
采用分子动力学模拟方法,研究了同一冷却速率下淬火后样品NiZr合金的微观结构与Ni含量变化的关系.目的在于通过原子微观结构展示它的玻璃形成能力.通过键角分析方法,统计了Ni-Zr合金中各结构类型的数量.计算体系的二十面体结构(ico)和ot... 采用分子动力学模拟方法,研究了同一冷却速率下淬火后样品NiZr合金的微观结构与Ni含量变化的关系.目的在于通过原子微观结构展示它的玻璃形成能力.通过键角分析方法,统计了Ni-Zr合金中各结构类型的数量.计算体系的二十面体结构(ico)和other结构,发现在50%Ni含量的体系中ico+other结构达到最大值,认为Ni_(50)Zr_(50)的非晶形成能力比较强. 展开更多
关键词 二十面体 分子动力学模拟 键角分析 玻璃形成能力
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Unexpected activated carbon-catalyzed pyrrolo[1,2-a]quinoxalines synthesis in water 被引量:1
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作者 Qi Sun Liyan Liu +2 位作者 Yu Yang Zhenggen Zha Zhiyong Wang 《Chinese Chemical Letters》 SCIE CAS CSCD 2019年第7期1379-1382,共4页
An interesting and recyclable activated carbon/water catalytic system for efficient synthesis of pyrrolo[1,2-a]quinoxaline derivatives was developed. The intramolecular C-N and C-C bond can be easily constructed in wa... An interesting and recyclable activated carbon/water catalytic system for efficient synthesis of pyrrolo[1,2-a]quinoxaline derivatives was developed. The intramolecular C-N and C-C bond can be easily constructed in water under mild condition. This reaction features a broad substrate scope, a good tolerance to water and air, metal-free, additive-free and redox reagent-free. 展开更多
关键词 Pyrrolo[1 2-a]quinoxalines Activated carbon C-C C-N bond-forming Metal free WATER SOLVENT
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Tailorable carbazolyl cyanobenzene-based photocatalysts for visible light-induced reduction of aryl halides 被引量:1
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作者 Wei Ou Ru Zou +2 位作者 Mengting Han Lei Yu Chenliang Su 《Chinese Chemical Letters》 SCIE CAS CSCD 2020年第7期1899-1902,共4页
Herein,a series of carbazolyl cyanobenzene(CCB)-based organic photocatalysts with a broad range of photoredox capabilities were designed and synthesized,allowing precise control of the photocatalytic reactivity for th... Herein,a series of carbazolyl cyanobenzene(CCB)-based organic photocatalysts with a broad range of photoredox capabilities were designed and synthesized,allowing precise control of the photocatalytic reactivity for the controllable reduction of aryl halides via a metal-free process.The screened-out CCB(5CzBN),a metal-free,low-cost,scalable and sustainable photocatalyst with both strong oxidative and reductive ability,exhibits superior performance for both dehalogenation and C—C bond-forming arylation reactions. 展开更多
关键词 Organic photocatalyst HALIDE C—C bond-formation PHOTOCATALYST REDUCTION
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