Prospectives of Industrial Chemistry (공업화학전망)

The Korean Society of Industrial and Engineering Chemistry (한국공업화학회)
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Molecular Dynamics Simulations on Catalyst Layers of Polymer Electrolyte Membrane Fuel Cell

고분자 전해질막 연료전지 전극층에서의 분자동역학 연구

  • Kang, Haisu (School of Chemcial Engineering, Pusan National University) ;
  • Kwon, Sung Hyun (School of Chemcial Engineering, Pusan National University) ;
  • Lee, Seung Geol (School of Chemcial Engineering, Pusan National University)
  • 강혜수 (부산대학교 응용화학공학부) ;
  • 권성현 (부산대학교 응용화학공학부) ;
  • 이승걸 (부산대학교 응용화학공학부)
  • Published : 2021.06.30

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Abstract

수소 에너지는 환경 문제를 최소화하고 고갈되는 화석연료를 대체할 수 있는 에너지원으로 각광을 받고 있다. 수소연료전지는 이러한 수소를 에너지원으로 사용하고 수소를 전기에너지로 전환하여 그 부산물로 물을 만드는 대표적인 친환경 전기화학 장치이다. 고분자 전해질막 연료전지는 수소이온교환 특성을 갖는 고분자막을 전해질로 사용하는 연료전지로 막전극집합체의 전극층은 촉매가 포함된 고분자 전해질막 연료전지의 주요 요소 중의 하나이다. 소재개발 측면에서 고분자 전해질막 연료전지 전극층 핵심 소재의 물성 발현 원리 등을 이해하고 최적화된 소재 설계를 위해서는 원자레벨에서의 소재 설계 접근법이 필요하다. 따라서 실험적인 연구가 어려운 부분과 원자단위에서의 물질 현상에 대한 이해 그리고 연구 개발의 효율성 증진을 위해 전산재료과학(computational materials science) 기술이 광범위하게 활용될 수 있다. 본 기고문에서는 고분자 전해질막 연료전지에서의 전극층 소재에 대한 분자동역학 기반의 전산모사 활용과 연구동향에 대하여 소개하고자 한다.

Keywords

Acknowledgement

이 논문은 정부(과학기술정보통신부)의 재원으로 한국연구재단(기후변화대응 기초원천기술개발 과제)의 지원을 받아 작성되었음(NRF-2020M1A-2A2080807).

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