967 citations · 5.4k across the 73 of their papers we have counts for
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Exciton-dominated Dielectric Function of Atomically Thin MoS2 Films
Yiling Yu, Yifei Yu, Yongqing Cai +8
We systematically measure the dielectric function of atomically thin MoS2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the diel…
The Electronic Properties of Phosphorene/Graphene and Phosphorene/Hexagonal Boron Nitride Heterostructures
Yongqing Cai, Gang Zhang, Yong-Wei Zhang
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional…
Direction dependent thermal conductivity of monolayer phosphorene: parameterization of Stillinger-Weber potential and molecular dynamics study
Wen Xu, Liyan Zhu, Yongqing Cai +2
A Stillinger-Weber interatomic potential is parameterized for phosphorene. It well reproduces the crystal structure, cohesive energy and phonon dispersion predicted by first-princi…
Giant Phononic Anisotropy and Unusual Anharmonicity of Phosphorene: Interlayer Coupling and Strain Engineering
Yongqing Cai, Qingqing Ke, Gang Zhang +3
Phosphorene, an emerging elemental two-dimensional (2D) direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other 2D ma…
Energetics, Charge Transfer and Magnetism of Small Molecules Physisorbed on Phosphorene
Yongqing Cai, Qingqing Ke, Gang Zhang +1
First-principles calculations are performed to investigate the interaction of physisorbed small molecules, including CO, H2, H2O, NH3, NO, NO2, and O2, with phosphorene, and their…