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  • 09월 03일 23시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제122회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Chemical environment dependent growth of transition metal dichalcogenides: a computational study

등록일
2018년 9월 5일 11시 41분 09초
접수번호
2214
발표코드
KCS1-3 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
수 16시 : 15분
발표형식
심포지엄
발표분야
KCS - [IBS Symposium] Recent Advances in Carbon Materials
저자 및
공동저자
Wen Zhao, Feng Ding*
Center for Multidimensional Carbon Materials (CMCM), Institute for Basic Science (IBS), Korea
Transition metal dichalcogenides (TMDCs) are a large family of 2D materials with a wide spectrum of properties. I first introduce a collaborative work about the vapor-liquid-solid (VLS) growth of MoS2 ribbons by salt-assisted CVD. Compared to conventional vapor-solid growth, the formation of molten Na-Mo-O-S droplets allows the rapid deposition of precursors at the interface between the droplet and the TMDC and, therefore, drastically increases the growth rate by orders of magnitude. Then I will talk about our theoretical work on the nucleation of MoS2. A large number of isomers of MoxSy clusters (x = 1, …, 10, and y = x, ..., 3x or more) have been evaluated. We have found that (i) a few highly stable and also small MoxSy (x =1, 2, 3) clusters are predicted to be the precursors of MoS2 growth, and (ii) a series of phase transitions from 3D structures to planar T-phase, and then to planar H-phase TMDC configurations are predicted as the possible ‘evolutionary path’ in TMDC growth.

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