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제114회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Ferroelectric Polymer Films on Graphene: Molecular Dynamics Simulations and Density Functional Theory Calculations for Carbon-Based Switching Device Applications [우수포스터상]

2014년 8월 29일 15시 38분 23초
MAT.P-1164 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 15일 (수요일) 16:00~19:00
저자 및
이노도, 이진희1, Yves Lansac2,*, 장윤희3,*
광주과학기술원(GIST) 신소재공학부, Korea
1광주과학기술원(GIST) 신소재공학과, Korea
2Department of Physics, Universite Francois Rabelais, France, France
3광주과학기술원(GIST) 신소재공학, Korea
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승인 1건
Graphene is a promising channel material for field-effect transistors and non-volatile memories owing to its high carrier mobility, but its zero band gap hampers the realization of such carbon-based switching devices. Doping graphene with a thin-film deposition of ferroelectric polymer such as polyvinylidene fluoride (PVDF) has been known to increase its ON/OFF ratio, but the origin of the amplified resistance switching is still unclear. In order to better understand the mechanism at a molecular level, we carried out density functional theory calculations on the doping characteristics of a single-layer graphene as a function of the polarization direction of a PVDF thin film deposited on it, related it to the carrier concentrations and the resistance states of the graphene channel, and then carried out non-equilibrium Green’s function calculations to confirm the switching between high and low resistance states of the PVDF/graphene device. Based on this understanding, we propose a new architecture for PVDF/graphene-based field-effect transistors and non-volatile memories. Finally, since the β crystalline phase is the only PVDF phase whose permanent polarization can make it useful for ferroelectric applications, we carry out molecular dynamics simulations to confirm the formation of β-like phases from amorphous PVDF under a shear stress often applied during device fabrication.