Heechae Choi
성균관대학교 에너지저장·변환분과 · 에너지
이 교수의 연구실은 광학 및 전기화학적 반응을 활용한 청정 에너지 기술 개발에 중점을 두고 있습니다. 주요 연구 분야로는 태양광을 이용한 반도체 광촉매 설계, 질소 고정 및 암모니아 합성의 전기화학적 경로 최적화, 그리고 산화바나듐 기반 이종접합 구조에서의 전하 분離 메커니즘 규명이 있습니다. 특히, 결함 제어와 표면 구조 설계를 통해 반응성과 안정성을 동시에 향상시키는 원자 수준의 이론적 설계 원리를 핵심 전략으로 삼고 있습니다.
표시된 성과는 수집된 데이터 기준으로 산출되며, 일부 차이가 있을 수 있습니다.
Tungsten–nitrogen (W–N) codoping has been known to enhance the photocatalytic activity of anatase TiO2 nanoparticles by utilizing visible light. The doping effects are, however, largely dependent on calcination or annealing conditions, and thus, the massive production of quality-controlled photocatalysts still remains a challenge. Using density functional theory (DFT) thermodynamics and time-dependent DFT computations (TDDFT), we investigate the atomic structures of N doping and W–N codoping in
The photoluminescence intensity of Bi-doped Y<sub>2</sub>O<sub>3</sub> is increased in a high oxygen partial pressure atmosphere due to the healed oxygen vacancy.
Abstract Electrochemical nitrogen reduction reaction (NRR) is a sustainable alternative to the Haber‒Bosch process for ammonia (NH 3 ) production. However, the significant uphill energy in the multistep NRR pathway is a bottleneck for favorable serial reactions. To overcome this challenge, we designed a vanadium oxide/nitride (V 2 O 3 /VN) hybrid electrocatalyst in which V 2 O 3 and VN coexist coherently at the heterogeneous interface. Since single‐phase V 2 O 3 and VN exhibit different surface
Vanadium pentoxide (V2O5) is known to have natural n-type conductivity but transitions from n- to p-type conductivity when grown in a hydrated amorphous phase via atomic layer deposition. Compared with the intrinsic n-type character of V2O5, the hydrated amorphous V2O5 with artificial p-type conductivity has an increased work function difference, which can build stronger interface electric fields in ZnO/V2O5 heterojunction structures. This increased internal electric field strengthens the electr
Brookite, the least studied crystalline phase of TiO2, recently has been found to have excellent photocatalytic activities, comparable to that of anatase TiO2. However, its activity is highly dependent on its defect levels. We systematically studied the equilibria of the native point defects of brookite, along with their effects on photocatalytic activities. From first-principles calculations and thermodynamics modeling, we predicted the formation of an interstitial defect (Tii4+) under weak red
