Kumar et al. (2024): Adsorption, Orientation, and Speciation of Amino Acids at Air–Aqueous Interfaces for the Direct Air Capture of CO2
Nitesh Kumar, Uvinduni I. Premadasa, Dengpan Dong, Santanu Roy, Ying-Zhong Ma, Benjamin Doughty, Vyacheslav S. Bryantsev IN: Langmuir, 40, https://doi.org/10.1021/acs.langmuir.4c00907
The presence of the various species of amino acids and reactive intermediates can have a significant effect on Direct Air Capture (DAC) chemistry, the role of which is poorly understood. In this study, all-atom molecular dynamics (MD) based computational simulations and vibrational sum frequency generation (vSFG) spectroscopy studies were conducted to understand the role of competitive interactions at the air–aqueous interface in the context of DAC.