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Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials.In this study,we performed element substitutions on CsV3Sb5 with space group P 6/mmm,TbMn6Sn6 with space group P 6/mmm,and CsV6Sb6 with space group ■,as the parent compounds.Totally 4158 materials were obtained through element substitutions,and these materials were then calculated via density functional theory in high-throughput mode.Aft... 相似文献
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Employing a comprehensive structure search and high-throughput first-principles calculation method on 1561 compounds,the present study reveals the phase diagram of Lu-H-N.In detail,the formation energy landscape of Lu-H-N is derived and utilized to assess the thermodynamic stability of each compound that is created via element substitution.The result indicates that there is no stable ternary structure in the Lu-H-N chemical system,however,metastable ternary structures,such as Lu20H 相似文献
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建立气相色谱法同时测定固定污染源中6种丙烯酸酯。采用气袋采样,直接进样,以气相色谱法同时测定固定污染源中6种丙烯酸酯。6种丙烯酸酯在0.5~20μmol/mol范围内与色谱峰面积的线性关系良好,相关系数均不小于0.998,方法检出限为0.5~2.0 mg/m3。对低、中、高三种浓度标准气体进行分析,测定结果的相对标准偏差(n=6)分别为1.8%~3.5%、3.1%~4.1%和1.9%~3.0%;相对误差(n=6)分别为-6.2%~5.5%、1.2%~8.2%和-6.0%~(-4.1%),实际样品加标回收率为91.3%~125%。该方法适合于固定污染源废气中丙烯酸酯化合物的分析。 相似文献
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