Spin transport properties in lower n-acene-graphene nanojunctions

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:cs444444
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
A series of n-acene-graphene(n=3,4,5,6) devices,in which n-acene molecules are sandwiched between two Zigzag graphene nanoribbon(ZGNR) electrodes,are modeled through the spin polarized density functional theory combined with non-equilibrium Greens function technique.
其他文献
Studies of the chemical and physical properties of chemical compounds and materials are an important part of scientific research.In theoretical approaches,many properties of a target compound or mater
会议
In aqueous solutions the acid-base chemistry at the surface is of paramount importance for several processes [1],including capture of environmentally meaningful gases,catalytic effects due to differen
会议
There is a huge interest from the scientific community for piezoelectric nanostructures because of promising developments in the design of energy harvesting systems or self-powered nanometric devices.
会议
The photophysical properties of chromophoric systems can be greatly affected by the presence of plasmonic devices.In particular,light-harvesting systems have shown a marked enhancement of their fluore
会议
We present a new non-perturbative method to calculate the charge carrier mobility using the imaginary time path integral approach,which is based on the Kubo formula for dc-conductivity,and a saddle po
会议
Accurate predictions of photoexcitation properties are a major challenge for modern methods of theoretical chemistry.We show here how approximate coupled-cluster singles and doubles(CC2) calculations
会议
Ionic liquid(IL),the so-called "Designers solvent",has been rising to be a mainstream solvent category in recent decade for its great potentials in exploring new chemistry and industry.
会议
The diffusions of nitrobenzene(PhNO2)in 11 pure ionic liquids(ILs)and 9 binary composite ionic liquids with the volume ratio 1:1 were examined by molecular dynamics(MD)simulation.
About 30% of all human cancers are directly related to several RAS mutations and abnormal cell signalling.RAS is one of the proto-oncogenes of GTPase family which regulates signalling network and cell
会议
Fluorescent proteins(FP) have become a research hotspot in the field of biochemistry and have been widely used for in vivo markers and imaging [1].
会议