Computational Materials Science Lab.
Computational Materials Science Lab.
Chungnam National University · Materials Science and Engineering
Professor
Prof. 김현유
Professor's page · publicationsAbout
밀도범함수이론(DFT) 기반 양자화학 계산을 활용해 소재를 분석하고 설계하는 전산재료과학연구실입니다. 금속, 반도체, 나노 소재, 에너지 소재 등 다양한 분야에서 계산재료과학 연구를 수행합니다.
Research keywords
Recent papers
- Ultrasound‐Driven Piezocatalytic Hydrogen Peroxide Generation and ApplicationsAdvanced Energy Materials · Sep 12
- Chemical Ex‐Solution of Bi 3‐x TaO 7 Support for Electrical Integration at the Interface With Ir─Bi Alloy Electrocatalysts in Acidic Oxygen Evolution ReactionAdvanced Energy Materials · Sep 5
- Modulated Structure‐Electronic Coupling at Pt/CeO x –TiO 2 Interfaces Boosts Low‐Temperature Preferential CO OxidationAngewandte Chemie International Edition · Aug 7
From OpenAlex · papers whose author affiliation matches this university
Selected publications
- Heterogeneous Coordination Engineering of Cu Single-Atom Catalysts for Selective CO2-to-Ethanol ElectrosynthesisApplied Catalysis B: Environment and Energy · 2026
- Dipole-Driven Charge Trapping in monolayer Janus MoSSe for Ultrathin Nonvolatile Memory DevicesNano-Micro Letters · 2026
- Enhanced Catalytic Activity on Atomically Dispersed PtSe2 Two-dimensional LayersNature Communications · 2025
- CO2-driven oxygen vacancy diffusion and healing on TiO2(110) at ambient pressureAngewandte Chemie International Edition · 2025
- Mechanistic Insight into Bifunctional Thermocatalytic CO2 Hydrogenation by Oxide-Supported PalladiumChemical Engineering Journal · 2025
- Pt Nanoparticle Disintegration at Oxide Interfaces Enhances CO Oxidation CatalysisSmall · 2025
Labs doing related research
Labs that recently published on topics this lab's recent papers share
Choi Myong Yong
Gyeongsang National University · Chemistry
Hybrid‐Secondary Ion Mass Spectrometry Probes Atomic‐Scale Insight Into Selective C─C Bond Cleavage in PET UpcyclingAngewandte Chemie International Edition · Oct 5Shared topic: Electrocatalysts for Energy Conversion
Solid-State Batteries Lab
KAIST · Mechanical Engineering
Sustainable Low‐Valent Iridium Active Sites in Rhenium Doped Perovskite Iridates for Efficient Acidic Oxygen Evolution Reaction via Hybridized Reaction PathwaysAngewandte Chemie International Edition · Sep 22Shared topic: Catalytic Processes in Materials Science
Battery Materials Lab
KAIST · Chemical and Biomolecular Engineering
Concerted modulation of single-atom electronic structure and interfacial microenvironment for oxygen electroreductionChem · Sep 1Shared topic: Catalytic Processes in Materials Science
Other labs in this department
- Advanced Materials and Energy Catalysis Lab (AMEC)
Sang-Joon Kim
나노재료/에너지촉매
- Nano Semiconductors Lab.
Eui-Tae Kim
재료공학
- Energy Materials & Interfaces Laboratory
Sangbaek Park
에너지재료/계면공학
- Advanced Structural Materials & Processing Lab. (ASMPL)
Dong-Hyun Lee
Process-microstructure-property relationships in advanced structural metals and alloys (nanocrystalline alloys, high-entropy alloys, additively manufactured metals, hydrogen embrittlement)
- Mechanical Metallurgy and Neutron Application Lab.
Soo Yeol Lee
금속재료
- Nanomaterials Processing Laboratory (NMPL)
Lee, Jong-Hyeon
희토류제련, 차세대 이차전지재료, 재료전산