한양대학교 · 재료과학
Yong-Chae Chung 교수의 연구실은 전자구조 제어 및 나노구조 설계를 기반으로 한 고성능 에너지 소재 개발에 중점을 두고 있습니다. 특히, 수소 저장, 수소 분해, 수분 산화 반응 등에서의 촉매 및 전극 재료로서의 응용을 목표로 하며, DFT 계산과 원자층 증착(atomic layer deposition)을 활용한 정밀한 재료 설계를 수행합니다. 전자기장 및 도핑 전략을 통해 나노소재의 전자적 성질과 반응성을 정밀하게 제어하는 데에 초점을 맞추고 있습니다.
표시된 성과는 수집된 데이터 기준으로 산출되며, 일부 차이가 있을 수 있습니다.
In the present paper, the band gap characteristics of oxygen functionalized-monolayer scandium carbide (monolayer Sc2CO2) under a perpendicular external electric field (E-field) were studied using DFT calculations for the potential application of MXene in optoelectronic and optical nanodevices. In contrast to general pristine single-layer materials under an external E-field, monolayer Sc2CO2 undergoes an indirect to direct band gap transition under a positive E-field, and the band gap value chan
N-Doped graphene (NG) has been widely used as a cathode material for lithium-sulfur (Li-S) batteries due to its strong interaction with lithium polysulfide (LiPS) species. However, strong interaction between the NG substrate and the LiPS molecules induces undesirable molecular structure decomposition of LiPS. Due to the strong interaction between Li and NG, Li-trapping occurs during battery operation. Therefore, in this study, Li-trapped NG (LiNG) is introduced as a possible structure of NG, and
An equation developed by Le Claire is widely used to obtain a grain-boundary diffusion product, aD′, from the measured solute concentration gradients produced under conditions of constant surface concentration in grain-boundary diffusion experiments. However, a numerical assessment of the accuracy of Le Claire’s equation has revealed errors as large as 70% when applied outside of its range of validity to the shallow gradients (∼102 nm) that are provided by high-resolution analytical methods. To
In this article, the imposition of an external electric field is proposed as an effective means to improve the hydrogen storage properties of a promising medium. To demonstrate the feasibility of this concept, the geometric stability and hydrogen capacity of Li functionalized N-doped graphene were investigated in the presence of an electric field using density functional theory (DFT) calculations. For Li decorated pristine and graphitic structures, the binding energy of the Li atom on the surfac
