Publications

Submitted

Publication (논문)

• “High-throughput design of bimetallic core–shell catalysts for the electrochemical nitrogen reduction reaction”, S. Kim, M.-C. Kim, B. C. Yeo, and S. S. Han, Journal of Materials Chemistry A, 11, 24686-24697  (2023)

• “Recent Research Trends of Exploring Catalysts for Ammonia Synthesis and Decomposition: A Review”, J. Y. Kim, and B. C. Yeo, Korean Chemical Engineering Research, 4, 1-9 (2023)

• “Automatic Identification of Crystal Structures and Interfaces via Artificial-Intelligence-based Electron Microscopy”, A. Leitherer,* B. C. Yeo,* C. H. Liebscher, and L. M. Ghiringhelli, npj Computational Materials, 9, 179 (2023) *Equally contributed

• “Machine learning filters out efficient electrocatalysts in the massive ternary alloy space for fuel cells”, Y. Park, C.-K. Hwang, K. Bang, D. Hong, H. Nam, S. Kwon, B. C. Yeo, D. Go, J. An, B.-K. Ju, S. H. Kim, J. Y. Byun, S. Y. Lee, J. M. Kim, D. Kim, S. S. Han, and H. M. Lee, Applied Catalysis B, 339, 123128 (2023)

• “Recovering Microscopic Images in Material Science Documents by Image Inpainting”, T. Kim, and B. C. Yeo*, Applied Sciences, 13, 4071 (2023) 

• “Discovery of Porous Materials for H2/CO2 Gas Separation and High-Throughput Computational Screening”, B. C. Yeo, Korean Chemical Engineering Research, 61, 1-7 (2023) 

• “High-throughput Screening Computation for Discovery of Porous Zeolites for Hydrogen Storage”, B. C. Yeo, Korean Journal of Metals and Materials, 60, 537-544 (2022) 

• “High-Throughput Computational-Experimental Screening Protocol for the Discovery of Bimetallic Catalysts”, B. C. Yeo,* H. Nam,* H. Nam, M.-C. Kim, H. W. Lee, D. Kim, K.-Y. Lee, S. Y. Lee, and S. S. Han, npj Computational Materials, 7, 137 (2021) *Equally contributed

• “Accelerated mapping of electronic density of states patterns of metallic nanoparticles via machine-learning”, K. Bang, B. C. Yeo, D. Kim, and S. S. Han, Scientific Reports, 11, 11604 (2021)

• “Solid-solution alloying of immiscible Pt and Au boosts catalytic performance for H2O2 direct synthesis”, H.W. Lee, H. Nam, G.-H. Han, Y.-H. Cho, B. C. Yeo, M.-C. Kim, D. Kim, K.-Y. Lee, S.Y. Lee, and S. S. Han, Acta Materialia, 15, 116563 (2021) 

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• “Artificial Intelligence to Accelerate the Discovery of N2 Electroreduction Catalysts”, M. J. Kim,* B. C. Yeo,* Y. Park, H. M. Lee, S. S. Han and D. Kim, Chemistry of Materials, 32, 709-720 (2020) *Equally contributed 

• “Facile aqueous‑phase synthesis of Ag–Cu–Pt–Pd quadrometallic nanoparticles”, Z. Tang, B. C. Yeo, S. S. Han, T.-J. Lee, S. H. Bhang, W.-S. Kim and T. Yu, Nano Convergence, 6, 38 (2019) 

• “Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction”, B. C. Yeo,* J. Kong,* D. Kim, W. A. Goddard III, H. S. Park and S. S. Han, Journal of Physical Chemistry C, 123, 31026-31031 (2019) *Equally contributed

• “Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H2O2 Synthesis”, D. Kim,* H. Nam,* Y.-H. Cho,* B. C. Yeo,* S.-H. Cho, J. P. Ahn, K.-Y. Lee, S. Y. Lee and S. S. Han, ACS Catalysis, 9, 8702-8711 (2019) *Equally contributed 

• “Pattern Learning Electronic Density of States”, B. C. Yeo, D. Kim, C. Kim and S. S. Han, Scientific Reports, 9, 5879 (2019) 

• “Atomistic Sodiation Mechanism of a Phosphorene/Graphene Heterostructure for Sodium-Ion Batteries Determined by First-Principles Calculations”, H. W. Lee, H. Jung, B. C. Yeo, D. Kim and S. S. Han, Journal of Physical Chemistry C, 122, 20653-20660 (2018) 

• “Comparative study of the growth characteristics and electrical properties of atomic-layer-deposited HfO2 films obtained from metal halide and amide precursors”, I.-K. Oh, B.-E. Park, S. Seo, B. C. Yeo, J. Tanskanen, H.-B.-R. Lee, W.-H. Kim and H. Kim, Journal of Materials Chemistry C, 6, 7367-7376 (2018) 

• “Enhanced Hydrogen-Storage Capacity and Structural Stability of an Organic Clathrate Structure with Fullerene (C60) Guests and Lithium Doping”, Y. Woo, B.-S. Kim, J.-W. Lee, J. Park, M. Cha, S. Takeya, J. Im, Y. Lee, T.-I. Jeon, H. Bae, H. Lee, S. S. Han, B. C. Yeo, D. Kim and J.-H. Yoon, Chemistry of Materials, 30, 3028-3039 (2018) 

• “Reaction Mechanism of Area-Selective Atomic Layer Deposition for Al2O3 Nanopatterns”, S. Seo, B. C. Yeo, S. S. Han, C. M. Yoon, J. Y. Yang, J. Yoon, C. Yoo, H.-J. Kim, Y.-B. Lee, S. J. Lee, J.-M. Myoung, H.-B.-R. Lee, W.-H. Kim, I.-K. Oh and H. Kim, ACS Applied Materials & Interfaces, 9, 41607-41617 (2017) 

• “β‑CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics”, S. Song, D. Kim, H. M. Jang, B. C. Yeo, S. S. Han, C. S. Kim and J. F. Scott, Chemistry of Materials, 29, 7596-7603 (2017) 

• “Simulation Protocol for Prediction of a Solid-Electrolyte Interphase on the Silicon-based Anodes of a Lithium-Ion Battery: ReaxFF Reactive Force Field”, K.-S. Yun, S. J. Pai, B. C. Yeo, K.-R. Lee, S.-J. Kim and S. S. Han, Journal of Physical Chemistry Letters, 8, 2812-2818 (2017) 

• “Atomistic Simulation Protocol for Improved Design of Si-O-C Hybrid Nanostructures as Li-ion Battery Anodes: ReaxFF Reactive Force Field”, B. C. Yeo,* H. Jung,* H. W. Lee, K.-S. Yun, H. Kim, K.-R. Lee and S. S. Han, Journal of Physical Chemistry C, 121, 23268-23275 (2017) *Equally contributed 

• “Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis”, D. Kim, B. C. Yeo, D. Shin, H. Choi, S. Kim, N. Park and S. S. Han, Physical Review B, 95, 045209 (2017) 

• “Atomistics of the lithiation of oxidized silicon (SiOx) nanowires in reactive molecular dynamics simulations”, H. Jung, B. C. Yeo, K.-R. Lee and S. S. Han, Physical Chemistry Chemical Physics, 10, 32078-32086 (2016) 

• “A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries”, K. P. S. S. Hembram, H. Jung, B. C. Yeo, S. J. Pai, H. J. Lee, K.-R. Lee and S. S. Han, Physical Chemistry Chemical Physics, 18, 21391-21397 (2016) 

• “High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation”, B. C. Yeo, D. Kim, H. Kim and S. S. Han, Journal of Physical Chemistry C, 120, 24224-24230 (2016) 

• “Simultaneously Controllable Doping Sites and the Activity of a W−N Codoped TiO2 Photocatalyst”, H. Choi, D. Shin, B. C. Yeo, T. Song, S. S. Han, N. Park and S. Kim, ACS Catalysis, 6, 2745-2753 (2016) 

• “Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials”, S. J. Pai, B. C. Yeo and S.S. Han, Physical Chemistry Chemical Physics, 18, 1818-1827 (2015) 

• “Unraveling the Atomistic Sodiation Mechanism of Black Phosphorus for Sodium Ion Batteries by First-Principles Calculations”, K. P. S. S. Hembram, H. Jung, B. C. Yeo, S. J. Pai, S. Kim, K.-R. Lee and S. S. Han, Journal of Physical Chemistry C, 119, 15041-15046 (2015) 

• “Atomistic Observation of the Lithiation and Delithiation Behaviors of Silicon Nanowires Using Reactive Molecular Dynamics Simulations”, H. Jung, M. Lee, B. C. Yeo, K.-R. Lee and S. S. Han, Journal of Physical Chemistry C, 119, 3447-3455 (2015) 

• “Energy Efficient Scalable Video Coding Based Cooperative Multicast Scheme with Selective Layer Forwarding”, J. Lee, B. C. Yeo, J.-S. Kim, M. S. Jang, and J. K. Choi, IEEE Communication Letters, 17, 1116-1119 (2013) 

Patent (특허)

• S. S. Han, B. C. Yeo, D. Kim, and S. C. Kim “METHOD AND ELECTRONIC APPARATUS FOR PREDICTING ELECTRONIC STRUCTURE OF MATERIAL”, PCT/KR2018/009278 (Aug. 15, 2019) 

• S. Y. Lee, S. S. Han, H. B. Nam, B. C. Yeo, S. H. Cho, and H. S. Jang “Catalyst, catalyst composition containing pt-ni alloy and methods for synthesizing of hydrogen peroxide using them”, U.S.A. No.16/215,521 (Jun. 3, 2019) 

• S. S. Han, B. C. Yeo, D. Kim, and C. S. Kim “METHOD AND ELECTRONIC APPARATUS FOR PREDICTING ELECTRONIC STRUCTURE OF MATERIAL”, U.S.A No.15/892,774 (Feb. 28, 2019) 

• S. S. Han, B. C. Yeo, D. Kim, S. C. Kim “Method and Electronic Apparatus for Predicting Electronic Structure of a Material (소재의 전자 구조를 예측하는 방법 및 전자 장치)”, Republic of Korea, Application No. 10-2018-0084270 (Jul. 19, 2018) 

• S. S. Han, B. C. Yeo, D. Kim, S. C. Kim “Method and Electronic Apparatus for Predicting Electronic Structure of a Material (소재의 전자 구조를 예측하는 방법 및 전자 장치)”, Republic of Korea, Application No. 10-2018-0084269 (Jul. 19, 2018) 

• S. Y. Lee, S. S. Han, H. B. Nam, B. C. Yeo, S. H. Cho, H. S. Jang, “Catalyst, Catalyst Composition Comprising Pd-Ni Alloy and Methods for Synthesizing of Hydrogen Peroxide Using Them (Pd-Ni 합금을 포함하는 촉매, 촉매 조성물 및 이를 이용한 과산화수소 합성 방법)”, Republic of Korea, Application No. 10-2018-0005092 (Jan. 15, 2018) 

• S. Y. Lee, S. S. Han, H. B. Nam, B. C. Yeo, S. H. Cho, H. S. Jang, “Catalyst, Catalyst Composition Comprising Pt-Ni Alloy and Methods for Synthesizing of Hydrogen Peroxide Using Them (Pt-Ni 합금을 포함하는 촉매, 촉매 조성물 및 이를 이용한 과산화수소 합성 방법)”, Republic of Korea, Application No. 10-2017-0169766 (Dec. 11, 2017) 

• S. S. Han, B. C. Yeo, D. Kim, “Method of Selecting Alloy Catalyst Candidate (합금 촉매 후보 선정 방법)”, Republic of Korea, Application No. 10-2017-0132871 (Oct. 12, 2017) 

• S. S. Han, B. C. Yeo, C. Kim, D. Kim, “Method and Electronic Apparatus for Predicting Electronic Structure of a Material (소재의 전자 구조를 예측하는 방법 및 전자 장치)”, Republic of Korea, Application No. 10-2017-0108850 (Aug. 28, 2017)