윤용

선임연구원 | 원자단위계산

윤용

윤용 (Yong Youn)

선임연구원 · 원자단위계산

yyoun@kier.re.kr
042-860-3232

Research Interests

제일원리계산 기반 기능성 소재 연구, 대량 선별 계산(high-throughput screening)을 통한 새로운 소재 탐색, 제일원리계산 기반 결함 특성 연구

Projects

  • 인공지능을 활용한 초고전도/초전하 신규소재 기반 PCFC 핵심 요소기술 개발 (2025-)
  • AI 탐색설계 및 전주기 데이터 관리 기반 우주발사체용 초고온 내열 세라믹 소재 HUB 구축 (2025-)
  • 원료 다변화형 수첨 바이오디젤 및 바이오항공유/납사 생산 핵심기술 개발 (2025-)
  • 인공지능 및 데이터를 활용한 수전해용 프로톤전도성 소재의 HUB 구축 (2024-)
  • 고온형(600℃ 이상) 수소분리용 세라믹 복합 분리막 제조기술 개발 (2024-)
  • 직접 암모니아 연료용 고체산화물 연료전지 개발 (2023-2024)
  • 금속소재 제조디지털혁신 플랫폼 구축 - 소재데이터 (2022-2024)
  • 5×5㎠ 전해질 지지형 프로톤 전도성 수전해 셀/스택 요소기술 개발 (2022-2024)
  • 산업 미활용 에너지 이용 고도화를 위한 혁신적 고밀도 THS 시스템 기술 개발 (2022-2023)
  • 20년 수명의 고효율 무기 페로브스카이트 태양전지 개발 (2021-2024)
  • ≤450℃ 영역 작동형 신규 고전도성 프로톤 고체전해질 개발 (2021-2024)

Publications

  • T. Kim, P. Kang, E. Eom, S. -K. Lee, J. -C. Kim, S. Kweon, M. B. Park, Y. Youn*, K. Cho*, and C. Jo*, “Opposite trends in acetylene/ethylene selectivity change after organic functionalization of Na+-and Cs+-MOR zeolites”, Separation and Purification Technology 360, 131226 (2025) (*co-corresponding author)
  • A. Hussain*, Y. Youn*, B. -S. Kwon, T. -H. Lim, S. -J. Park, J. -E. Hong, D. W. Joh, R. -H. Song, H. -S. Kim, “Suppressing Cation Interdiffusion at CeO2/ZrO2 Heterointerfaces via Dopant Segregation”, ACS Applied Materials & Interfaces 17, 9407 (2025) (*co-first author)
  • Y. Youn, S. Yoon, T. W. Kim, S. K. Hong, and K. Cho, “Significant improvement of adsorption thermal energy storage of zeolite by simple cation exchange, inducing strong polarization of water”, Journal of Energy Storage 89, 111805 (2024)
  • Y. Youn*, T. W. Kim, K. Cho*, and S. K. Hong*, “Investigation on the Initial Stage of the Dehydration Process in Mg(OH)2 by Density Functional Theory Calculations”, ACS Applied Materials & Interfaces 16, 23122 (2024) (*co-corresponding author)
  • Y. Choi, H. W. Kim, Y. Youn, P. J. Chun, H. S. Kim, J. H. Yu, S. D. Kim, and T. W. Kim, “Microwave-assisted sintering of a hexagonal perovskite-related protonic ceramic Ba7Nb4MoO20”, Journal of the European Ceramic Society 44, 116702 (2024)
  • Y. Youn, B. Hussain, A. Ullah, I. J. Hwang, J. Shin, J. -E. Hong, D. W. Joh, S. -B. Lee, R. -H. Song, S. -J. Park, T. W. Kim, Y. Choi, T. -H. Lim, H. -S. Kim, “Anisotropic proton migration in hexagonal perovskite-related Ba5Er2Al2ZrO13 oxide”, Chemistry of Materials 35, 9493 (2023)
  • A. Ullah*, B. Hussain*, Y. Youn*, H. -B. Bae, J. -E. Hong, D. W. Joh, S. -B. Lee, R. -H. Song, T. W. Kim, T. -H. Lim, and H. -S. Kim, “A multicomponent equimolar proton-conducting quadruple hexagonal perovskite-related oxide system”, Dalton Transaction 52, 1885 (2023. 01) (*co-first author)
  • T. Mandai, Y. Youn, and Y. Tateyama, “Remarkable electrochemical and ion-transport characteristics of magnesium-fluorinated alkoxyaluminate–diglyme electrolytes for magnesium batteries”, Materials Advances 2, 6283 (2021. 07)
  • Y. Youn, B. Gao, A. Kamiyama, K. Kubota, S. Komaba, and Y. Tateyama, “Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery”, npj Computational Materials 7, 48 (2021. 04)
  • A. Kamiyama, K. Kubota, D. Igarashi, Y. Youn, Y. Tateyama, H. Ando, K. Gotoh, and S. Komaba, “MgO‐Template Synthesis of Extremely High Capacity Hard Carbon for Na‐Ion Battery”, Angewandte Chemie International Edition 60, 5114 (2021. 03)
  • C. Hong, J. M. Choi, W. Jeong, S. Kang, S. Ju, K. Lee, J. Jung, Y. Youn, and S. Han, “Training machine-learning potentials for crystal structure prediction using disordered structures”, Physical Review B 102, 224104 (2020. 12)
  • S. Kim, M. Lee, C. Hong, Y. Yoon, H. An, D. Lee, W. Jeong, D. Yoo, Y. Kang, Y. Youn*, and S. Han*, “A band-gap database for semiconducting inorganic materials calculated with hybrid functional”, Scientific Data 7, 387 (2020. 11) (*co-corresponding author)
  • Y. Youn, M. Lee, C. Hong, D. Kim, S. Kim, J. Jung, K. Yim, and S. Han, “AMP2: a fully automated program for ab initio calculations of crystalline materials”, Computer Physics Communications 256, 107450 (2020.11)
  • M. Lee*, Y. Youn*, and S. Han, “Origin of p-type conduction in amorphous CuI: a first-principles investigation”, Physica Status Solidi B: Basic Solid State Physics 257, 2000218 (2020.09) (*co-first author)
  • S. Yim, T. Kim, X. Hongwei, B. Yu, Y. Youn, S. Han, and J. K. Jeong, “Lanthanum doping enabling high drain current modulation in a p-type tin monoxide thin-film transistor”, ACS Applied Materials & Interfaces 11, 47025 (2019. 12)
  • T. Kim, B. Yoo, Y. Youn, M. Lee, A. Song, K. -B. Chung, S. Han, and J. K. Jeong, “Material design of new p-type tin oxyselenide semiconductor through valence band engineering and its device application”, ACS Applied Materials & Interfaces 11, 40214 (2019. 10)
  • Y. Youn*, M. Lee*, D. Kim, J. K. Jeong, Y. Kang, and S. Han, “Large-scale computational identification of p-type oxide semiconductors by hierarchical screening”, Chemistry of Materials 31, 5475 (2019.08) (*co-first author)
  • Y. Kang, Y. Youn, S. Han, J. Park, and C. Oh, “Computational screening of indirect gap semiconductors for potential photovoltaic absorbers”, Chemistry of Materials 31, 4072 (2019.06)
  • D. Yoo, H. Song, Y. Youn, S. H. Jeon, Y. Cho, and S. Han, “Molecular dynamics study on interface morphology of vapor-deposited amorphous organic thin films”, Physical Chemistry Chemical Physics 21, 1484 (2019)
  • M. Lee, Y. Youn, K. Yim, and S. Han, “High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics”, Scientific reports 8, 14794 (2018. 10)
  • K. Yim*, Y. Youn*, M. Lee, D. Yoo, J. Lee, S. H. Cho, and S. Han, “Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor”, npj Computational Materials 4, 17 (2018) (*co-first author)
  • S. Muhammad, J.-Y. Cho, Y. Youn, S. Han, M. Kim, S.-H. Bae, and C. Park, “Effect of annealing temperature on the phase transition, band gap and thermoelectric properties of Cu2SnSe3”, Journal of Materials Chemistry C 6, 1780 (2018)
  • Y. Youn*, D. Yoo*, H. Song, Y. Kang, K. Kim, S. H. Jeon, Y. Cho, K. Chae, and S. Han, “All-atom simulation of molecular orientation in vapor-deposited organic light-emitting diodes”, Journal of Materials Chemistry C 6, 1015 (2018) (*co-first author)
  • K. Lee, Y. Youn, and S. Han, “Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithm”, Science and Technology of Advanced Materials 18, 246 (2017)
  • B. Kim*, Y. Youn*, Y.-S. Park, D. N. Moon, K. Kang, S. Han, and J. S. Lee, “Impurity-driven formation of branched pores in porous anodic alumina”, Scripta Materialia 122, 102 (2016) (*co-first author)
  • Y. Youn and S. Han, “Investigation of field effects in a solid-state nanopore transistor”, Physical Chemistry Chemical Physics 17, 27806 (2015)
  • K. Yim, Y. Youn, J. Lee, K. Lee, H.-H. Nahm, J. Yoo, C. Lee, C. S. Hwang, and S. Han, “Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations”, NPG Asia Materials 7, e190 (2015)
  • Y. Youn, Y. Kang, and S. Han, “An efficient method to generate amorphous structures based on local geometry”, Computational Materials Science 95, 256 (2014)
  • E. Cho, Y. Youn, and S. Han, “Enhanced amorphous stability of carbon-doped Ge2Sb2Te5: Ab initio investigation”, Applied Physics Letters 99, 183501 (2011)

Honors and Awards

  • Participation prize of “24th Samsung Humantech Best Paper Award – Division of Materials Science and Engineering” (2017)