451 citations · 1.9k across the 26 of their papers we have counts for
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physics.chem-ph2016★ 9 cited
Steric effects of CO2 binding to transition metal-benzene complexes: a first-principles study
Hyeonhu Bae, Bing Huang, Hoonkyung Lee
Using density functional theory (DFT) calculations, we investigated the adsorption of CO2 molecules on 3d transition metal (TM)-benzene complexes. Our calculations show that the ma…
cond-mat.mtrl-sci2016★ 2 cited
High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide
Hyeonhu Bae, Minwoo Park, Byungryul Jang +9
Nano-materials, such as metal-organic frameworks, have been considered to capture CO. However, their application has been limited largely because they exhibit poor selectivity…