Creator | Title | Description | Subject | Date | ||
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1 | Liu, Feng | Effects of Li doping on H-diffusion in MgH2: A first-principles study | The effects of Li doping in MgH2 on H-diffusion process are investigated, using first-principles calculations. We have identified two key effects: (1) The concentration of H vacancy in the þ1 charge state ðVþ1 H Þ can increase by several orders of magnitude upon Li doping, which significantly in... | 2013-01-01 | ||
2 | Liu, Feng | Electrochemical measurements on cells, I: Simulation of potential distribution with an embedded probe | Measurements of electric potential in electrochemical devices such as solid oxide fuel cells (SOFC) or solid oxide electrolyzer cells (SOEC) are often made by placing a reference electrode on the surface. Measurement of electric potential with embedded electrodes (probes) has also been reported [1].... | 2013-01-01 | ||
3 | Liu, Feng | Strain-engineered surface transport in Si(001): complete isolation of the surface state via tensile strain | By combining density functional theory, nonequilibrium Green's function formulism and effective- Hamiltonian approaches, we demonstrate strain-engineered surface transport in Si(001), with the complete isolation of the Si surface states from the bulk bands. Our results show that sufficient tensile s... | 2013-01-01 |