Showing results 1 to 24 of 24
Issue Date | Title | Author(s) |
---|---|---|
2016-08-31 | A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries | Hembram, K. P. S. S.; Jung, Hyun; Yeo, Byung Chul; Pai, Sung Jin; Lee, Heon Ju; Lee, Kwang-Ryeol; Han, Sang Soo |
2020-01-28 | Artificial Intelligence to Accelerate the Discovery of N-2 Electroreduction Catalysts | Kim, Myungjoon; Yeo, Byung Chul; Park, Youngtae; Lee, Hyuck Mo; Han, Sang Soo; Kim, Donghun |
2015-02-19 | Atomistic Observation of the Lithiation and Delithiation Behaviors of Silicon Nanowires Using Reactive Molecular Dynamics Simulations | Jung, Hyun; Lee, Minho; Yeo, Byung Chul; Lee, Kwang-Ryeol; Han, Sang Soo |
2017-10-26 | Atomistic Simulation Protocol for Improved Design of Si-O-C Hybrid Nanostructures as Li-Ion Battery Anodes: ReaxFF Reactive Force Field | Yeo, Byung Chul; Jung, Hyun; Lee, Hong Woo; Yun, Kang-Seop; Kim, Hyungjun; Lee, Kwang-Ryeol; Han, Sang Soo |
2018-09-13 | Atomistic Sodiation Mechanism of a Phosphorene/Graphene Heterostructure for Sodium-Ion Batteries Determined by First-Principles Calculations | Lee, Hong Woo; Jung, Hyun; Yeo, Byung Chul; Kim, Donghun; Han, Sang Soo |
2016-12 | Atomistics of the lithiation of oxidized silicon (SiOx) nanowires in reactive molecular dynamics simulations | Jung, Hyun; Yeo, Byung Chul; Lee, Kwang-Ryeol; Han, Sang Soo |
2017-09-12 | beta-CuGaO2 as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics | Song, Seungwoo; Kim, Donghun; Jang, Hyun Myung; Yeo, Byung Chul; Han, Sang Soo; Kim, Chang Soo; Scott, James F. |
2016-01-21 | Development of the ReaxFF(CBN) reactive force field for the improved design of liquid CBN hydrogen storage materials | Pai, Sung Jin; Yeo, Byung Chul; Han, Sang Soo |
2017-01-19 | Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis | Kim, Donghun; Yeo, Byung Chul; Shin, Dongbin; Choi, Heechae; Kim, Seungchul; Park, Noejung; Han, Sang Soo |
2019-12-26 | Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction | Yeo, Byung Chul; Kong, Jimin; Kim, Donghun; Goddard, William A., III; Park, Hyun S.; Han, Sang Soo |
2018-05-08 | Enhanced Hydrogen-Storage Capacity and Structural Stability of an Organic Clathrate Structure with Fullerene (C-60) Guests and Lithium Doping | Woo, Yesol; Kim, Byeong-Soo; Lee, Jong-Won; Park, Jeasung; Cha, Minjun; Takeya, Satoshi; Im, Junhyuck; Lee, Yongjae; Jeon, Tae-In; Bae, Hyeonhu; Lee, Hoonkyung; Han, Sang Soo; Yeo, Byung Chul; Kim, Dongseon; Yoon, Ji-Ho |
2019-08-25 | First-principles guided discovery of novel bimetallic catalysts for direct synthesis of hydrogen peroxide | Han, Sang Soo; Kim, Donghun; Yeo, Byung Chul |
2021-08 | High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts | Yeo, Byung Chul; Nam, Hyunji; Nam, Hyobin; Kim, Min-Cheol; Lee, Hong Woo; Kim, Sung-Chul; Won, Sung Ok; Kim, Donghun; Lee, Kwan-Young; Lee, Seung Yong; Han, Sang Soo |
2023-12 | High-throughput design of bimetallic core-shell catalysts for the electrochemical nitrogen reduction reaction | Kim, Sooyeon; Kim, Min-Cheol; Yeo, Byung Chul; Han, Sang Soo |
2016-10-27 | High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation | Yeo, Byung Chul; Kim, Donghun; Kim, Hyungjun; Han, Sang Soo |
2023-12 | Machine learning filters out efficient electrocatalysts in the massive ternary alloy space for fuel cells | Park, Youngtae; Hwang, Chang-Kyu; Bang, Kihoon; Hong, Doosun; Nam, Hyobin; Kwon, Soonho; Yeo, Byung Chul; Go, Dohyun; An, Jihwan; Ju, Byeong-Kwon; Kim, Sang Hoon; Byun, Ji Young; Lee, Seung Yong; Kim, Jong Min; Kim, Donghun; Han, Sang Soo; Lee, Hyuck Mo |
2019-03-31 | Material discovery by accelerated and universal learning for novel catalysis | Yeo, Byung Chul |
2019-04-10 | Pattern Learning Electronic Density of States | Yeo, Byung Chul; Kim, Donghun; Kim, Chansoo; Han, Sang Soo |
2017-11-29 | Reaction Mechanism of Area-Selective Atomic Layer Deposition for Al2O3 Nanopatterns | Seo, Seunggi; Yeo, Byung Chul; Han, Sang Soo; Yoon, Chang Mo; Yang, Joon Young; Yoon, Jonggeun; Yoo, Choongkeun; Kim, Ho-jin; Lee, Yong-baek; Lee, Su Jeong; Myoung, Jae-Min; Lee, Han-Bo-Ram; Kim, Woo-Hee; Oh, Il-Kwon; Kim, Hyungjun |
2017-07 | Simulation Protocol for Prediction of a Solid-Electrolyte Interphase on the Silicon-based Anodes of a Lithium-Ion Battery: ReaxFF Reactive Force Field | Yun, Kang-Seop; Pai, Sung Jin; Yeo, Byung Chul; Lee, Kwang-Ryeol; Kim, Sun-Jae; Han, Sang Soo |
2016-05 | Simultaneously Controllable Doping Sites and the Activity of a W-N Codoped TiO2 Photocatalyst | Choi, Heechae; Shin, Dongbin; Yeo, Byung Chul; Song, Taeseup; Han, Sang Soo; Park, Noejung; Kim, Seungchul |
2021-02-15 | Solid-solution alloying of immiscible Pt and Au boosts catalytic performance for H2O2 direct synthesis | Lee, Hong Woo; Nam, Hyobin; Han, Geun-Ho; Cho, Young-Hoon; Yeo, Byung Chul; Kim, Min-Cheol; Kim, Donghun; Lee, Kwan-Young; Lee, Seung Yong; Han, Sang Soo |
2019-09 | Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H2O2 Synthesis | Kim, Donghun; Nam, Hyobin; Cho, Young-Hoon; Yeo, Byung Chul; Cho, So-Hye; Ahn, Jae-Pyung; Lee, Kwan-Young; Lee, Seung Yong; Han, Sang Soo |
2015-07-09 | Unraveling the Atomistic Sodiation Mechanism of Black Phosphorus for Sodium Ion Batteries by First-Principles Calculations | Hembrarn, K. P. S. S.; Jung, Hyun; Yeo, Byung Chul; Pai, Sung Jin; Kim, Seungchul; Lee, Kwang-Ryeol; Han, Sang Soo |