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A Reasonable DFT Calculation Method for Hybrid Organic-Inorganic Halide Perovskites
MAPbI3 구조를 기반으로 한 하이브리드 유무기 할라이드 페로브스카이트 구조의 합리적인 DFT 계산 방법 연구
Jin-Woong Lee, Woon Bae Park
이진웅, 박운배
Korean J. Met. Mater. 2021;59(4):256-261.   Published online 2021 Mar 24
DOI: https://doi.org/10.3365/KJMM.2021.59.4.256

Abstract
Hybrid Organic-Inorganic Perovskites (HOIP) have received a great deal of attention as a key material for applications like solar cells and light emitting devices because of their many advantages, in spite of their stability and toxicity issues. Attempting to discover and characterize novel HOIPs using just an experimental approach would..... More

      
Recent Progress in First Principle Calculation and High-Throughput Screening of Electrocatalysts: A Review
전기화학촉매의 제일원리 계산 및 하이스루풋 스크리닝 연구 동향: 리뷰
Changsoo Lee, Kihoon Bang, Doosun Hong, Hyuck Mo Lee
이창수, 방기훈, 홍두선, 이혁모
Korean J. Met. Mater. 2019;57(1):1-9.   Published online 2018 Dec 14
DOI: https://doi.org/10.3365/KJMM.2019.57.1.1

Abstract
There are many ongoing efforts to develop sustainable, clean, efficient, and economical pathways to produce renewable energy sources to satisfy worldwide energy demands. Electrochemical conversion processes, such as water splitting, CO2 conversion and N2 electroreduction, have been considered as successful approaches to solve these energy issues. Over the past decade,..... More

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