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12 papers · 2 filters
Unveiling the Structural Origin of the High Carrier Mobility of a Molecular Monolayer on Boron Nitride
Rui Xu, Daowei He, Yuhan Zhang +10
Very recently, it was demonstrated that the carrier mobility of a molecular monolayer dioctylbenzothienobenzothiophene (C8-BTBT) on boron nitride can reach 10 cm2/Vs, the highest a…
Tuning the catalytic activity of graphene nanosheets for oxygen reduction reaction via size and thickness reduction
John Benson, Qian Xu, Peng Wang +5
Currently, the fundamental factors that control the oxygen reduction reaction (ORR) activity of graphene itself, in particular the dependence of the ORR activity on the number of e…
Magnetism and electronic structure of ()- and ()-oriented LaTiO bilayers sandwiched in LaScO barriers
Yakui Weng, Shuai Dong
In this study, the magnetism and electronic structure of LaTiO bilayers along both the () and () orientations are calculated using the density functional theory. The…
Orientation-dependent magnetism and orbital structure of strained YTiO films on LaAlO substrates
Xin Huang, Qingyu Xu, Shuai Dong
The strain tuned magnetism of YTiO film grown on the LaAlO () substrate is studied by the method of the first principles, and compared with that of the ()-oriente…
BaFeSe: a high magnetic multiferroic with large ferrielectric polarization
Shuai Dong, J. -M. Liu, Elbio Dagotto
The iron-selenides are important because of their superconducting properties. Here, an unexpected phenomenon is predicted to occur in an iron-selenide compound with a quasi-one-dim…
Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study
Li-Juan Yang, Ya-Kui Weng, Hui-Min Zhang +1
The compressive strain effects on the magnetic ground state and electronic structure of strained GdTiO 3 have been studied by the first-principles method. Different from the congen…