한국신재생에너지학회:학술대회논문집
- 한국신재생에너지학회 2005년도 제17회 워크샵 및 추계학술대회
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- Pages.634-637
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- 2005
Metal-Organic Framework의 수소 흡착 메커니즘의 이해
Understanding the Mechanism of Hydrogen Adsorption into Metal Organic Frameworks
- 발행 : 2005.11.11
초록
Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of
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