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가역적 수소 저장을 위한 마그네슘 알라네이트 (Mg(AlH4)2) 나노 입자 활용 : 밀도범함수이론 연구
DFT Investigation of Phase Stability of Magnesium Alanate (Mg(AlH4)2) for Reversible Hydrogen Storage 원문보기

한국수소 및 신에너지학회 논문집 = Transactions of the Korean Hydrogen and New Energy Society, v.34 no.2, 2023년, pp.169 - 177  

임동희 (충북대학교 환경공학과) ,  배은민 (충북대학교 환경공학과) ,  한영수 (충남대학교 환경공학과)

Abstract AI-Helper 아이콘AI-Helper

Phase stability diagrams were constructed for magnesium alanate (Mg(AlH4)2) nanoparticles to investigate the reversible hydrogen storage reaction by using density functional theory. Our findings indicate that bulk Mg(AlH4)2 shows favorable hydrogen release, but unfavorable hydrogen uptake (adsorptio...

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