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In、Bi、sb掺杂snO_(2)锂化的第一性原理研究

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有色金属工程 2023年第4期13卷 20-28,101页

作者：胡苗闫共芹苏一伦 saidov Anvar 武桐广西科技大学机械与汽车工程学院广西柳州545616 上海景瑞阳实业有限公司上海201314

采用基于密度泛函理论(DFT)的第一性原理平面波赝势(UsPP)法,以In、Bi、sb掺杂snO_(2)为主要研究对象,构建了M_(1-x)sn_(x)O_(2)二维片状材料模型并模拟其锂化过程,获得Li^(+)饱和浓度曲线;构建M_(1-x)sn_(x)O_(2)三维晶体结构并计算其... 详细信息

采用基于密度泛函理论(DFT)的第一性原理平面波赝势(UsPP)法,以In、Bi、sb掺杂snO_(2)为主要研究对象,构建了M_(1-x)sn_(x)O_(2)二维片状材料模型并模拟其锂化过程,获得Li^(+)饱和浓度曲线;构建M_(1-x)sn_(x)O_(2)三维晶体结构并计算其能带结构、态密度、分子轨道和布居;使用过渡态搜索(Ts search)方法评估了Li^(+)扩散的能垒。结果表明,M_(1-x)sn_(x)O_(2)锂化至饱和状态时锂浓度分别为Li_(0.47)snO_(2)、Li_(0.47)In_(0.3)sn_(0.7)O_(2)、Li_(0.47)Bi_(0.3)sn_(0.7)O_(2)、Li_(0.59)sb_(0.3)sn_(0.7)O_(2);snO_(2)、In-snO_(2)、Bi-snO_(2)、sb-snO_(2)的带隙分别为1.23、1.72、1.47、0.23 eV,其中sb-snO_(2)态密度在费米能级处脉冲峰的展宽扩大到-2~6 eV,表明sb原子的掺杂使得原子间的耦合作用增强,带隙减小,轨道范围变大,电子的非局域性变强;掺杂In、Bi、sb原子后snO_(2)离子键的键级由0.33分别转变为0.22、0.03、0.02,离子性依次增强,其中sb-snO_(2)的离子性最强,sn—O键强度最低。同样的路径下Li^(+)在snO_(2)、In-snO_(2)、Bi-snO_(2)、sb-snO_(2)中扩散所需的最大能量分别为1.1、0.75、1.03、0.56 eV;金属元素sb掺杂snO_(2)可有效增强其锂化能力。

关键词： In、Bi、sb掺杂snO_(2) 电子结构第一性原理

Human Rights and Liberalization of Judicial and Legal system in Uzbekistan

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The Journal of Human Rights 2007年第4期6卷 32-37页

作者： A. saidov Director of the National Human Rights Centre of the Republic of Uzbekistan

I. Introduction Today＇s Uzbekistan with its 25 million populations geographically and politically presents the basis of Central Asia. One of the most ancient civilizations in the world was born in this region. The great silk Road passed through its territory in the past. The history of my nation is deeply rooted in the centuries and counts more than 3,000 years. From the ancient times such cities as Tashkent, samarkand, Bukhara, Khiva, Termez are well known in the world and their links were spread from China to spain and from Europe to Indian Ocean.

关键词： Human Rights and Liberalization of Judicial and Legal system in Uzbekistan

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Broader Horizons

Beijing Review 2019年第11期62卷 28-29页

作者： Bakhtiyor saidov 不详

Belt and Road Initiative enhances Uzbekistan--China friendship In a historically short period of time,China has made impressive progress in the consistent implementation of socio-political and socio-economic reforms,ensuring a high standard of living for its population and increasing the country’s authority in international politics and the world economy,which shed light on those countries that are seeking development in urgent,including my country Uzbekistan.

关键词： Initiative Horizons friendship

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Ambassador's Message

Beijing Review 2017年第38期60卷 29-29页

作者： Bakhtiyor saidov

This is the first time that I am celebrating Independence Day of the Republic of Uzbekistan in China.On this joyous occasion of my country’s 26th Independence Day,I would like to take this opportunity to extend my best wishes to fellow Uzbekistan citizens and our friends in the People’s Republic of China.since ancient times,the peoples of Uzbekistan and China were linked by mutual

关键词： In Ambassador’s Message