Findley and Sholl (2021): Computational Screening of MOFs and Zeolites for Direct Air Capture of Carbon Dioxide under Humid Conditions

John M. Findley and David S. Sholl IN: Jornal of Physical Chemistry

Currently, most direct air capture (DAC) adsorbents, such as amines, rely on chemisorption. In this work, we screened the 2014 computation-ready, experimental metal–organic framework (CoRE MOF) database along with silica zeolites, aluminophosphate (AlPO) zeolites, and gallophosphate (GaPO) zeolites for DAC under humid conditions based on heat of adsorption criteria.