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基于机器学习的钙钛矿锰氧化物材料设计
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作者 卢凯亮 畅东平 +1 位作者 纪晓波 陆文聪 《中国材料进展》 CAS CSCD 北大核心 2023年第8期625-630,共6页
ABO_(3)钙钛矿锰氧化物因成本低廉和稳定性好,已成为反铁磁体中最热门的存储器材料。提高ABO_(3)钙钛矿锰氧化物的奈尔温度(Néel temperature,T_(N)),使之在室温下呈现反铁磁性,具有重要的意义。利用超多面体方法对特征变量的重要... ABO_(3)钙钛矿锰氧化物因成本低廉和稳定性好,已成为反铁磁体中最热门的存储器材料。提高ABO_(3)钙钛矿锰氧化物的奈尔温度(Néel temperature,T_(N)),使之在室温下呈现反铁磁性,具有重要的意义。利用超多面体方法对特征变量的重要性进行排序,进而结合机器学习算法来筛选特征变量,并构建了极端梯度回归(XGBoost)机器学习模型,搭建了ABO_(3)钙钛矿锰氧化物的T_(N)在线预报平台。利用高通量筛选找到了T_(N)预测值高于室温的候选材料(Sr_(0.7)Ce_(0.1)Sm_(0.2)MnO_(3),308.5 K),其TN比已知最高的样本还高6.37%。该研究方法有助于实验工作者选择最有希望的材料来做实验,可以加快新材料的研发和性能突破。 展开更多
关键词 ABO_(3)钙钛矿锰氧化物 奈尔温度 机器学习 高通量筛选 在线预报
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复合氧化物光催化研究进展 被引量:1
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作者 娄向东 赵晓华 成庆堂 《化学研究与应用》 CAS CSCD 北大核心 2003年第4期447-450,共4页
综述了ABO3钙钛矿复合氧化物及以TiO2为基础的复合氧化物的光催化研究进展,探讨了光催化降解机理、光催化剂的应用,影响光催化效率的因素及提高光催化性能的途径等方面的内容,并展望了今后的工作重点及发展方向。
关键词 复合氧化物 光催化 ABO3钙钛矿复合氧化物 TIO2 光催化剂 制备方法
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Structure and Conductivity of Perovskite-Type LnFe_xCo_(1-x)O_3
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作者 任引哲 王建英 +1 位作者 王恩通 张瑞花 《Journal of Rare Earths》 SCIE EI CAS CSCD 2007年第S1期527-532,共6页
The perovskite-type solid oxides (ABO3) were a novel kind of functional material with superior properties and have found wide application. A series of nanocrystalline mixed oxides LnFexCo1-xO3 (Ln=La, Pr, Sm, Dy, Er)w... The perovskite-type solid oxides (ABO3) were a novel kind of functional material with superior properties and have found wide application. A series of nanocrystalline mixed oxides LnFexCo1-xO3 (Ln=La, Pr, Sm, Dy, Er)were prepared by sol-gel method. Several aspects of the perovskite type LnFexCo1-xO3, such as crystal defects, oxygen ion vacancy, the tolerance factor of the ABO3, col size, and the bond energy of chemical bond, searching for the relationship between the conductivity and structure of the perovskite type LnFexCo1-xO3, hoping to find some regularities in theory, and providing some helps for composing new type of electricity materials. 展开更多
关键词 perovskite-type solid oxides (abo_3) MIXED STRUCTURE electrical conductivity rare earths
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Study on catalysts for combustion of lean CH_4
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作者 Zhou Zexing, Yin Ling, Xu JingKesearch Center for Eco-Fnvironmental Sciences, Chinese Academy of Sciences.Beijing 100085, China 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 1994年第1期62-68,共7页
in this study, cerarnics honeycomb-supported ABO_3 perovskite type oxides were preparedby changing the composition of A and B site cations, and observed their activities for lean CH.oxidation. In the case of change in... in this study, cerarnics honeycomb-supported ABO_3 perovskite type oxides were preparedby changing the composition of A and B site cations, and observed their activities for lean CH.oxidation. In the case of change in A site composition La_(0.3)Sr_(0.2)MnO_3 and La_(0.6)Sr_3MnO_3 is the mostactive catalysts for 1 v% CH_4 and 2 v% CH_4 respectively. But LaMn_(0.5)Co_(0.5)O_3 oxide is the best ac-tive catalyst for 1-2v% CH_4 among the oxides by changing B site compositions of LaBO_3 and su-perior to La_(0.3)Sr_(0.2)MnO_3 and La_(0.6)Sr_(0.4)MnO_3 catalysts.Adding trace Pd improved the activity and characteristics of space velocity for LaMn_(0.5)CO_(0.5)O_3and La_(0.3)Sr_(0.2)MnO_3 Although LaMn_(0.5)Co_(0.5)O_3 +Pd (0.03 wt%) was less active than the Pd catalyst,the activity was more than Pt catalyst at a conversion level below 90%. 展开更多
关键词 CATALYSTS abo_3 structure oxides catalytic combustion lean CH. oxidation.
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稀土过渡族氧化物的合成及Mossbauer效应的研究
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作者 焦俊芳 杨景海 《松辽学刊(自然科学版)》 1994年第1期9-11,26,共4页
本文报道了利用高温灼烧方法合成稀土过渡族氧化物固溶体EuFeO3,EuFe(0.8)Mn(0.2)O3,利用X─射线衍射与Nssbauer效应技术,分析了其结构特征及超精细相互作用.
关键词 高温合成 ABO3型化合物 稀土过渡族氧化物 Moessbauer效应结构 超精细相互作用
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