바이폴라막은 양이온교환층과 음이온교환층 및 양극접합층으로 이루어진 이온교환막으로 물 분해 특성을 기반으 로 하여 프로톤과 수산화 이온을 생성시키는 막이다. 이러한 특성을 이용하여 화학 산업, 식품 가공, 환경 보호, 에너지 변환 및 저장과 같은 다양한 응용 분야에서 연구가 되고 있다. 본 논문에서는 바이폴라막 기술에 대한 종합적인 이해를 제공하기 위해 바이폴라막의 개념 및 물 분해 메커니즘과 물 분해 촉매에 대한 조사하였다. 마지막으로 최근 에너지 기술에 적용되고 있는 바이폴라막 프로세스를 조사하였다.

Adsorption of a water molecule on a Si (001) surface and its dissociation were studied using density functional theory to study the distribution of -OH fragments on the Si surface. The Si (001) surface was composed of Si dimers, which buckle in a zigzag pattern below the order-disorder transition temperature to reduce the surface energy. When a water molecule approached the Si surface, the O atom of the water molecule favored the down-buckled Si atom, and the H atom of the water molecule favored the up-buckled Si atom. This is explained by the attractions between the negatively charged O of the water and the positively charged down-buckled Si atom and between the positively charged H of the water and the negatively charged up-buckled Si atom. Following the adsorption of the first water molecule on the surface, a second water molecule adsorbed on either the inter-dimer or intra-dimer site of the Si dimer. The dipole-dipole interaction of the two adsorbed water molecules led to the formation of the water dimer, and the dissociation of the water molecules occurred easily below the order-disorder transition temperature. Therefore, the 1/2 monolayer of -OH on the water-terminated Si (001) surface shows a regular distribution. The results shed light on the atomic layer deposition process of alternate gate dielectric materials, such as HfO2.