First-principle study of the structural and electronic properties of graphene on Zn(Ⅱ)phthalocyanine

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:xsbnwxy
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
One major obstacle in the field of graphene electronics is the innate chemical passivity of graphene.In order to integrate graphene in various devices and applications,it is necessary to develop a procedure that will grow stable layers of functional materials.
其他文献
In the fabrication process of MEMS and semiconductor devices,plasma etching is widely employed to proceed a miniaturization of the structures.
会议
As one of the most important energy storage devices,lithium ion batteries(LIBs) have been attracted intensive attention over the past years,especially the issue of searching for a better anode materia
会议
In recent years,a single-molecule conductivity has attracted a great deal of attention as an essential functionality utilized in future molecular quantum devices such as "molecular wire" or "nano wire
会议
Despite the great importance and significant progress of anion recognition and sensing[1-2],the molecular design and synthesis of anion receptor still remains a challenging field of chemistry.
会议
We have developed a straightforward simulation protocol for a special phase transition process triggered by local heat.
会议
Hydrogenated amorphous silicon carbide(a-SiC:H) has much attention as the promising materials for solar cells due to high chemical,mechanical,and thermal stability.
会议
In recent years,zigzag graphene nanoribbons(zGNRs) have been intensively studied due to the peculiar spin-polarized edge states.
会议
Orthosilicate has been used as one of the most promising cathode materials for lithium ion batteries,because of the theoretical high capacity and the abundance of Si in nature.
会议
In this work,density functional theory calculations with van de Waals corrections revealed the existence of considerable C-H …F-C hydrogen bonding interactions between hydrofluorinated graphene(HGF) m
会议
We present a molecular dynamics study of aqueous gold nanoparticle by means of a capacitance-polarizability force field [1],which properly describes the almost-free motions of the electrons in the met
会议