Ken Motokura
,
Masaki Naijo
,
Sho Yamaguchi
,
Akimitsu Miyaji
,
Toshihide Baba
催化学报
doi:10.1016/S1872-2067(17)62800-6
CO2是最重要的可再生碳源之一.为了将CO2转化为有用的有机化合物,我们研究了二种模型硅基"废"材料—乙硅烷和硅粉的反应活性.在这些反应中,氟盐的催化活性最高,在常压、在质子源水和硅基还原剂的存在下,CO2可转化为甲酸.原位NMR和动力学分析表明,含氢硅烷和五配位的硅物种分别是反应中间物和活性物种.
关键词:
二氧化碳
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氟
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均相催化
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甲酸
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乙硅烷
宋杨
,
梁淑华
人工晶体学报
为了研究ZnO:Sb的掺杂机理,本文运用第一性原理密度泛函理论计算了理想纤锌矿ZnO和SbO 、SbZn 、SbZn-2VZn三种Sb掺杂ZnO晶体模型的几何结构、能带结构和电子态密度.计算结果表明:sb的掺人使得晶格发生不同程度的膨胀,其中以SbZn-2VZn复合缺陷模型的膨胀最小,键长最短,说明此结构的化学稳定性最高.通过能带和态密度的分析可知,ShO和SbZn模型存在不合理性,而SbZn-2VZn复合缺陷中的VZn可以使价带产生非局域化空穴载流子.定量计算进一步确认了SbZn-2VZn构型的可填充电子数最多,合理解释了晶体导电性的提高.形成能计算表明,在富氧条件下SbZn-2VZn的形成能最低,说明在富氧条件下掺杂Sb更有利于实现ZnO的p型化.
关键词:
ZnO
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p型掺杂
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第一性原理
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大尺度失配掺杂
X. Chang
,
K. Qin and Y.L.Lu Orthodontic Department of Stomatology College
,
China Medical University
,
Sheny ang 110001
,
China
金属学报(英文版)
proach change of CGRP with time in periodontal ligaments of rats in magnetic field, maxillae of 28 Wistar rats of 6 7 weeks were placed in magnetic fields of permanent magnets Nd 2 Fe 4 B. Changes of CGRP with t ime in maxillary periodontal ligaments of the rats were studied by immunohistochemistry. The result showed that: magnetic field had dynamic effect and some promotional effect on recove?E F F E C T O F M A G N E T I C F I E L D O N C A L C I T O N I N G E N E- R E L A T E D P E P T I D E I N P E R I O D O N T A L L I G A M E N T S O F R A T S X. Chang , K. Qin and Y. L. Lu Orthodontic Department of Stomatology College , China Medical University , Shenyang 110001 , China Manuscript received 24 June 1999 In order to approach change of C G R P with tim e in periodontal liga m ents of rats in m agneticfield , m axillae of 28 Wistar rats of 6 7 weeks w ere placed in m agnetic fields of per m anentm agnets Nd 2 Fe4 B. Changes of C G R P with tim e in m axillary periodontal liga ments of therats were stu died by i m m unohistoche mistry . The result sho wed that : m agnetic field had dy na m ic effect an d so m e pro motional effect on recovering and reconstruction of the periodontaltissues in it . This provided a better theoretical evidence for clinical use of per m anent m agnets .
关键词:
per m anent m agnet Nd 2 Fe4 B
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