欢迎您！东篱公司
退出
-
申报数据库
-
立项数据库
-
成果数据库
-
项目获奖数据库
中文摘要：
利用密度泛函理论,计算了羟基饱和锯齿型石墨烯纳米带（OH-ZGNRs）的相对稳定性和外加横向电场对其电子结构的影响.计算结果表明：OH-ZGNRs比氢饱和ZGNRs（H-ZGNRs）更为稳定,具有窄带隙自旋极化基态.此外,在外加横向电场作用下,OH-ZGNRs可实现半导体到半金属相转变.
英文摘要：
Using the density-functional theory, the structural stability and the effect of in-plane electric field on the electronic structure of zigzag graphene nanoribbin （OH-ZGNR）, which is terminated by hydroxyl, are explored. It is found that hydroxyl bonding on the ZGNR edge is much more stable than H-terminated ZGNR（H-ZGNRs）. The ground state of the ZGNR is spin-polarized with a narrow energy gap. Furthermore, transition from semiconducting to metallic phase in ZGNR can be achieved if a proper in-plane electric field is applied across the edges OH-ZGNR.
同期刊论文项目
同项目期刊论文
Electronic properties of a patchwork of armchair graphene nanoribbon and triangular boron nitride na
Adsorption of oxygen atom on Zn-terminated (0001) surface of wurtzite ZnO: A density-functional theo
Theoretical study of the adsorption and diffusion of oxygen atom on O-terminated ZnO (000-1) surface
First-principles study on the structure, hardness and electronic structure of TMB1.1 (TM = Rh, Ir an
Assembly of hierarchical ZnSnO3 hollow microspheres from ultra-thin nanorods and the enhanced ethano
Visible photocatalytic activity enhancement of Zn0.8Cd0.2S by hybridization of reduced graphene oxid
One-step synthesis of a carbon nano sheet-scarbon nanotubes composite and its field emission propert
Relatively low temperature synthesis of graphene by radio frequency plasma enhanced chemical vapor d
Synthesis of graphene on a polycrystalline Co film by radio-frequency plasma-enhanced chemical vapou
期刊信息
位置：