Publications
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2025
Metastable Shared Proton Complexes in Aqueous Sulfuric Acid Solutions
Sijia Chen, Bohak Yoon, Jiangbo Wu, Gregory A. Voth
The Journal of Physical Chemistry Letters
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23 Mar 2025
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doi:10.1021/acs.jpclett.5c00349
2024
Impact of Side Chains in 1‐n‐Alkylimidazolium Ionomers on Cu‐Catalyzed Electrochemical CO2 Reduction
Young In Song#, Bohak Yoon#, Chanwoo Lee, Dogyeong Kim, Man Ho Han, …, Woong Hee Lee, Da Hye Won, Jung Kyu Kim, Hyo Sang Jeon, Jai Hyun Koh
Advanced Science
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31 Oct 2024
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doi:10.1002/advs.202406281
On the Key Influence of Amino Acid Ionic Liquid Anions on CO2 Capture
Bohak Yoon, Sijia Chen, Gregory A. Voth
Journal of the American Chemical Society
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03 Jan 2024
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doi:10.1021/jacs.3c11808
2023
Elucidating the Molecular Mechanism of CO2 Capture by Amino Acid Ionic Liquids
Bohak Yoon, Gregory A. Voth
Journal of the American Chemical Society
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13 Jul 2023
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doi:10.1021/jacs.3c03613
Combined experimental and computational study on the effect of solvent structure on developing CO2 biphasic absorbents
Qinlan Luo, Yan Ouyang, Shumin Hong, Nan Wang, Yuanyuan Li, …, Teerawat Sema, Paitoon Tontiwachwuthikul, Peng Luo, Chintana Saiwan, Zhiwu Liang
Separation and Purification Technology
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01 Mar 2023
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doi:10.1016/j.seppur.2022.122856
2022
Probing strong steric hindrance effects in aqueous alkanolamines for CO2 capture from first principles
Bohak Yoon, David C. Calabro, Lisa Saunders Baugh, Sumathy Raman, Gyeong S. Hwang
Journal of Environmental Chemical Engineering
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01 Dec 2022
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doi:10.1016/j.jece.2022.108987
Development of a monoethanolamine/n-butanol biphasic solution with tunable phase separation for CO2 absorption via combined experimental and computational study: Role of solvation environment, phase separation mechanism
Qinlan Luo, Shumin Hong, Hongxia Gao, Yuanyuan Li, Nan Wang, Gyeong S. Hwang, Bohak Yoon, Zhiwu Liang
Separation and Purification Technology
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01 Nov 2022
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doi:10.1016/j.seppur.2022.121861
Combined experimental and computational study on the promising monoethanolamine + 2-(ethylamino)ethanol + sulfolane biphasic aqueous solution for CO2 absorption
Qinlan Luo#, Bohak Yoon#, Hongxia Gao, Juan Lv, Gyeong S. Hwang, Min Xiao, Zhiwu Liang
Chemical Engineering Journal
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01 Oct 2022
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doi:10.1016/j.cej.2022.136674
Intriguing Thermal Degradation Behavior of Aqueous Piperazine for Carbon Dioxide Capture: A First-Principles Assessment
Bohak Yoon, Gyeong S. Hwang
ACS Sustainable Chemistry & Engineering
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14 Jul 2022
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doi:10.1021/acssuschemeng.2c02502
First-principles studies on degradation of aqueous amines for carbon dioxide capture
Bohak Yoon
The University of Texas at Austin
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27 Apr 2022
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doi:10.26153/TSW/42585
An experimental/computational study of steric hindrance effects on CO2 absorption in (non)aqueous amine solutions
Qinlan Luo#, Rui Dong#, Bohak Yoon#, Hongxia Gao, Mengjie Chen, Gyeong S. Hwang, Zhiwu Liang
AIChE Journal
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12 Apr 2022
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doi:10.1002/aic.17701
Facile Carbamic Acid Intermediate Formation in Aqueous Monoethanolamine and Its Vital Role in CO2 Capture Processes
Bohak Yoon, Gyeong S. Hwang
Industrial & Engineering Chemistry Research
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21 Mar 2022
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doi:10.1021/acs.iecr.1c04987
2021
First-Principles Assessment of Anomalous Thermal Degradation of Aqueous 2-Amino-2-methyl-1-propanol for CO2 Capture
Bohak Yoon, Gyeong S. Hwang
Energy & Fuels
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08 Oct 2021
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doi:10.1021/acs.energyfuels.1c02361
2020
Anomalous Facile Carbamate Formation at High Stripping Temperatures from Carbon Dioxide Reaction with 2-Amino-2-methyl-1-propanol in Aqueous Solution
Bohak Yoon, Gyeong S. Hwang
ACS Sustainable Chemistry & Engineering
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09 Dec 2020
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doi:10.1021/acssuschemeng.0c07203
On the mechanism of predominant urea formation from thermal degradation of CO2-loaded aqueous ethylenediamine
Bohak Yoon, Gyeong S. Hwang
Physical Chemistry Chemical Physics
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01 Jan 2020
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doi:10.1039/d0cp02178d
2019
Molecular mechanisms for thermal degradation of CO2-loaded aqueous monoethanolamine solution: a first-principles study
Bohak Yoon#, Haley M. Stowe#, Gyeong S. Hwang
Physical Chemistry Chemical Physics
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01 Jan 2019
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doi:10.1039/c9cp04518j