1) TiO2 anatase (101) surface
锐钛矿相TiO2(101)表面
1.
Electronic structures of nitrogen(N)/fluorine(F)-doped and N-F-codoped TiO2 anatase (101) surfaces were investigated by density functional theory (DFT) plane-wave pseudopotential method.
采用密度泛函理论(DFT)平面波赝势方法计算了N/F掺杂和N-F双掺杂锐钛矿相TiO2(101)表面的电子结构。
2) TiO_2 anatase (101) surface
锐钛矿相TiO_2(101)表面
3) anatase TiO2
锐钛矿相TiO2
1.
A first-principle calculation using the plane-wave ultrasoft pseudopotential method is performed to investigate the electronic structure and optical properties of anatase TiO2 in detail,and their relationship is theoretically analyzed.
采用第一性原理平面波超软赝势方法计算了锐钛矿相TiO2的电子结构和光学性质,并从理论上分析了它们之间的关系。
2.
The crystal structure, impurity formation energy, electronic structure and optical properties of anatase TiO2 doped with sulfur in different valence states were studied by using the plane-wave ultrasoft pseudopotential method based on first-principles.
采用基于第一性原理的平面波超软赝势方法研究了掺杂不同价态S的锐钛矿相TiO2的晶体结构、杂质形成能、电子结构及光学性质。
3.
The crystal structure,impurity formation energy,electronic structure and optical properties of anatase TiO2 doping with nonmetallic cation were studied by the plane-wave ultrasoft pseudopotential method based on the first-principles in this paper.
采用基于第一性原理的平面波超软赝势方法研究了非金属阳离子掺杂锐钛矿相TiO2的晶体结构、杂质形成能、电子结构及光学性质。
4) anatase nano-TiO2
锐钛矿相纳米TiO2
5) Anatase TiO2
锐钛矿TiO2
1.
Anatase TiO2 nanocrystallites were prepared from TiCl4 with addition of aqueous ammonia by changing Ti(OH)4 precipitate into its corresponding ethanol-gels(by extensive washing with absolute ethanol) followed by supercritical drying in ethanol medium.
采用超临界干燥法制备了锐钛矿TiO2纳米晶,以光催化降解活性艳红X-3B作为测试反应,考察了不同温度焙烧的TiO2纳米晶的光催化活性,并用BET,XRD和TG等手段表征了催化剂的物理化学性质。
2.
By using the tetrabutyl titanate solution,the anatase TiO2 nanoparticle was synthesized and was characterized by TGA,TEM,BET,and CRD.
以钛酸四丁酯溶液为前驱体,成功制备了锐钛矿TiO2纳米粉体材料,对其结构和形貌采用TGA、TEM、BET和XRD分别进行了表征。
3.
The results show that C,P,N,S doped anatase TiO2 all can cause the absorption band of optical catalysis to red-shift, the absorpotion coefficient in the visible light r.
计算结果表明,C、P、N、S掺杂锐钛矿TiO2都能使TiO2的光催化吸收带在一定程度上红移,并在可见光区有一定的吸收系数。
6) anatase
[英]['ænə,teis] [美]['ænə,tes]
锐钛矿(TiO2)
补充资料：锐钛矿
化学成分为TiO2、晶体属四方晶系的氧化物矿物。与金红石和板钛矿成同质三象（见同质多象）。除通常均呈尖锐的四方双锥晶形、具平行底面和锥面的中等解理、硬度和比重较低外，锐钛矿的其他物理性质、产出条件和用途都与金红石相似，但不如金红石稳定和常见。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条