论文部分内容阅读
双功能Pd/Al2O3/SBA-15催化剂结构与异松油烯脱氢/异构化催化性能
【机 构】
:
南京大学化学化工学院,介观化学教育部重点实验室,南京 210093;南京大学扬州化学化工研究院,扬州 211400
【出 处】
:
第十六届全国催化学术会议
【发表日期】
:
2012年11期
其他文献
有限温度下材料性质的模拟,依据玻恩-奥本海默近似,要求人们对电子结构和原子核的运动分别进行准确的描述。近年来,随着第一性原理电子结构计算方法的发展,电子的量子描述己达到相当的精确度,而与之相应的原子核运动却很大程度停留在经典描述的层次。
拓扑绝缘体和拓扑超导体是凝聚态物理最新的研究热点。拓扑晶化绝缘体(TCI)也是一种拓扑非平庸性的绝缘体,它的体态是绝缘体,而在高对称的晶体表面具有金属态。这种表面金属态受到镜面对称性的保护而不受无序或者非磁性杂质散射的影响。碲化锡经计算和角分辨光电子谱实验证实是一种拓扑晶化绝缘体材料。铟掺杂的碲化锡具有超导电性。
Enhancement and Selectivity of Acidic Gases Adsorption on Light Metal Decorated Graphene Oxide:A Fir
The most efficient way to relieve hazard of acidic gases has been proven to be captured after the burning of fuels and before the emission.
Negative differential resistance and width controlled I-V characteristic in planar T-graphene nanori
Electronic and transport properties of T-graphene nanoribbons with armchair edge and zigzag edge are studied using computational method based on density functional theory and non-equilibrium Greens fu
会议
Optical and electronic properties of superlattice system based on hybrid graphene/BN and graphene/graphane single sheet are systematically studied using density functional theory.
Using first-principles calculations,we predicted h-BN with flat surface is an ideal substrate for silicene.Our first-principles calculations were performed using the plane wave basis Vienna ab initio
The electron transport of different conical valleys is investigated in graphene with extended line defects.Intriguingly,the electron with a definite incident angle can be completely modulated into one