13 citations · 13 across the 2 of their papers we have counts for
5 papers
Atomic Resonant Tunneling in the Surface Diffusion of H Atoms on Pt(111)
Cheng Bi, Yong Yang
The quantum motions of hydrogen (H) atoms play an important role in the dynamical properties and functionalities of condensed phase materials as well as biological systems. In this…
Adsorption and Diffusion of H Atoms on beta-PtO2 Surface: The Role of Nuclear Quantum Effects
Yong Yang, Yoshiyuki Kawazoe
The adsorption and diffusion of H atoms on beta-PtO2(001) surface have been studied using first-principles calculations. The chemisorbed H atoms are found to bind preferentially on…
Adsorption and Diffusion of F2 molecules on Pristine Graphene
Yong Yang, Fuchi Liu, Yoshiyuki Kawazoe
The adsorption and diffusion of F2 molecules on pristine graphene have been studied using first-principles calculations. For the diffusion of F2 from molecular state in gas phase t…
Adsorption of Water on Fluorinated Graphene
Yong Yang, Fuchi Liu, Yoshiyuki Kawazoe
In this paper, we investigate the adsorption of water monomer on fluorinated graphene using state-of-the-art first principles methods within the framework of density functional the…
Electronic Structures of Oxygen-deficient Ta2O5
Yong Yang, Ho-Hyun Nahm, Osamu Sugino +1
We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of ca…