95 citations · 287 across the 23 of their papers we have counts for
15 papers · 1 filter
Mapping electronic states of dual-parallel and symmetric zigzag grain boundaries of graphene on highly oriented pyrolytic graphite
Jun Ma, Xiaying Li, Longjing Yin +7
The grain boundaries (GBs) of a graphene surface were extensively studied because GBs with specific defect configurations result in the formation of new curved structures, which ca…
Electronic, mechanical, and thermodynamic properties of americium dioxide
Yong Lu, Yu Yang, Fawei Zheng +2
By performing density functional theory (DFT) + calculations, we systematically study the electronic, mechanical, tensile, and thermodynamic properties of AmO. The experim…
Phonon dispersion curves and thermodynamic properties of α-Pu2O3
Yong Lu, Yu Yang, Fawei Zheng +1
A recent inelastic x-ray scattering study [Manley et al., Phys. Rev. B 85, 132301 (2012)] reveals that the phonon dispersion curves of PuO2 is considerably consistent with our prev…
Thermodynamic properties and structural stability of thorium dioxide
Yong Lu, Yu Yang, Ping Zhang
Using density functional theory (DFT) calculations, we have systematically investigated the thermodynamic properties and structural stabilities of thorium dioxide (ThO). Based…
s-d Electronic interactions induced H2 dissociation on the γ-U(100) surface and influences of niobium doping
Yu Yang, Ping Zhang, Peng Shi +1
The dissociation of hydrogen molecules on the γ-U(100) surface is systematically studied with the density functional theory method. Through potential energy surface calculations, w…
Dissociation of H2 molecule on the β-Ga2O3 (100)B surface: The critical role of oxygen vacancy
Yu Yang, Ping Zhang
We systematically study the dissociation of H2 molecules on the β-Ga2O3 (100)B surface, with the influences of surface oxygen vacancy being considered. After introducing the surfac…