【摘 要】
:
单层或者多层原子厚度的二维材料由于其特殊的形貌、相对低的原子配位数从而表现出不同于传统纳米材料的性质,其中最典型的例子就是石墨烯.但是除此之外,对于金属单质在原子级别的二维纳米结构调控的报道还比较少,因为这类材料通常不稳定,容易团聚成纳米块状结构.
【机 构】
:
浙江大学催化研究所,杭州 310028,中国 阿卜杜拉国王科技大学,图沃 23955-6900,沙
论文部分内容阅读
单层或者多层原子厚度的二维材料由于其特殊的形貌、相对低的原子配位数从而表现出不同于传统纳米材料的性质,其中最典型的例子就是石墨烯.但是除此之外,对于金属单质在原子级别的二维纳米结构调控的报道还比较少,因为这类材料通常不稳定,容易团聚成纳米块状结构.
其他文献
采用MP2/6-31++G(d,p)的计算方法,以Depuy等人的实验为基础,对碳负离子与N2O反应的微观机理进行了系统的计算研究.其中,研究模型为:环丁烯负离子 + N2O、正丁烯负离子 + N2O、苯负离子 + N2O、呋喃负离子 + N2O、乙烯基环丙烷负离子 + N2O、异丁烯负离子 + N2O.主要结果:(1)对于所有碳负离子的反应体系,N2O的端基氮与其负碳离子的作用为各类反应体系的主
目前,Menschutkin反应是研究溶剂效应对反应速率等影响的重要反应,在实验和理论研究中都有很广泛的应用,但对其在溶剂中的反应途径没有进行深入探讨。本文应用密度泛函理论研究了苄基溴及其衍生物和吡啶的Menschutkin反应机理,对其主要两条反应途径,即吡啶由溴的异侧或同侧进攻,进行了理论计算。在B3LYP/6-31+G(d,p)水平上全优化了气相和溶剂中的反应物,过渡态和产物;分别用B3LY
The temperature-and pressure-dependent kinetics of ethanol decomposition,which typically involves the competition between two dominant pathways,was studied by commonly used canonical variational trans
The stabilization of low-valent main-group species which may not become isolated as free moieties by complexation with N-heterocyclic carbenes(NHCs)has been an area of intensive research in recent yea
Six different rigidifying modes of dithiophene π-spacer in organic D-π-A sensitizers(1-6)were taken into account to provide insight into this rigidification effects on the performance of dye sensitize
Mainly through electrostatic forces,salt ions can interact specifically with macromolecules such as peptides and proteins and have a strong impact on their three-dimensional structures and functions.I
A DFT study on the reaction of diazoacetate with primary allyl alcohol mediated by dirhodium catalyst has been carried out in detail.Calculations indicate that the major O-H insertion product can be o
SnO2 is an n-type semiconductor,which has been investigated intensively in history as gas sensing materials.Over recent years,its catalytic properties have attracted much attention,due to its structur
The effect of heat treatment on the Co-N-C/SiO2catalysts prepared through supported metalloporphyrin has been investigated for selective oxidation of ethylbenzene.And techniques such as BET,XRD,FT-IR,
生物柴油按制备方法可分为三代.第一代生物柴油以油脂为原料,通过酯交换反应将油脂转化为脂肪酸甲酯(FAME);第二代生物柴油通过加氢反应将油脂转化为异构烷烃类液体燃料;第三代生物柴油由生物质气化生成合成气,再经过费托合成和加氢异构化反应,生成异构烷烃.本文介绍了课题组针对三代生物柴油生产,开发新催化过程,研究相关反应机理和催化剂构效关系的工作.