EDISON SW 활용 경진대회 논문집 (Proceeding of EDISON Challenge)
- 제5회(2016년)
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- Pages.355-356
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- 2016
Strain Dependence of Adsorption Energy of Single Layer MoS2: Possibility of Catalytic Usage
초록
It is shown that the maximum value of exchange current is obtained where hydrogen adsorption energy is near 0. This enables to estimate catalytic efficiency of a material with hydrogen adsorption energy, which is relatively easier to calculate with density fuctional theory (DFT) method. Strain dependence of the adsorption energy was studied with DFT method and adsorption energy of 0.04 eV per hydrogen atom is obtained at 30% strain.
키워드