4 papers
A Saw-tooth Scaling of Work Function in Hydrogenated Graphene
Min Wang, Yan Zhou, Sui Kong Hark +1
The saw-tooth scaling investigations of work functions (WF) in hydrogenated graphene are theoretically performed by density functional theory. The positions of hydrogen atoms and t…
The Evolution of Alq3 Films Exposure to Air
Min Wang, Yan Zhou, Sui Kong Hark +1
Small molecular solar cell becomes more stable when a thin tris-(8-hydroxyquinoline) aluminum (Alq3) buffer layer instead of bathocuproine (BCP) is inserted between the active laye…
Magnetic properties of quasi one-dimensional vanadium-benzene nanowire affected by gas molecules: a first-principle study
Min Wang, Yan Zhou, Sui Kong Hark +1
Magnetic properties of quasi one-dimensional vanadium-benzene nanowires (VBNW) are investigated theoretically with the absorption of gas molecules-NO and NO2. With the increase ads…
The Reversible Spin Switch by External Control of Interval Distance of CuPc and C59N with the investigation of DFT
Min Wang, Yan Zhou, Sui Kong Hark +1
In this paper, we introduce a new kind of spin switch based on a joint system of copper phthalocyanine (CuPc) and C59N. Using density functional theory, we investigate the total ma…