@misc{10481/107570,
year = {2024},
url = {https://hdl.handle.net/10481/107570},
abstract = {In this work, we have developed two distinct amine-functionalization series for a zirconium-based metal-organic
framework (MOF), MOF-808. These strategies involved the direct coordination of amino acids with zirconium metal ions and the
covalent incorporation of polyamines The MOF variants underwent thorough characterization and testing for their suitability in direct
air capture (DAC) of CO2. Multiple analytical techniques, encompassing liquid-state 1H nuclear magnetic resonance (NMR) measurements, potentiometric acid-base titration, and with energy-dispersive X-ray spectroscopy was comprehensively employed to assess
the loading quantity of the amine functionalities. Following amine functionalization, improved CO2 capture performance was investigated using single-component sorption isotherms and dynamic breakthrough measurements. In dry conditions, the L-lysine- and
tris(3-aminopropyl)amine-functionalized variants, termed as MOF-808-Lys and MOF-808-TAPA, exhibited the highest CO2 uptakes
at 400 ppm, measuring 0.612 and 0.498 mmol g-1. Further capacity enhancement was achieved by introducing 50% relative humidity,
resulting in a remarkable 97% and 75% increase compared to the dry uptakes, respectively. The enhanced uptake efficiency was
demonstrated by 13C solid-state NMR, revealing the formation of bicarbonate species. This research indicates a broader potential for
advancing MOF materials through judicious post-synthetic amine functionalization for DAC applications.},
organization = {Department of Energy  Award  DE-FE0031956},
organization = {College of Chemistry (CoC-NMR)},
organization = {National Science Foundation under 2018784},
organization = {Spanish Ministerio de Universidades (PRX21/00093)},
organization = {MCIN/AEI/10.13039/501100011033, PID2020-113608RB-I00; TED2021-129886B-C41},
organization = {Taiwan Ministry of Education},
organization = {Universidad de Granada},
publisher = {American Chemical Society},
keywords = {Adsorption},
keywords = {Amines},
keywords = {Functionalization},
keywords = {Metal organic framework},
title = {Water-Enhanced Direct Air Capture of Carbon Dioxide in Metal–Organic Frameworks},
doi = {10.1021/jacs.3c14125},
author = {Chen, Oscar Iu-Fan and Liu, Cheng-Hsin and Wang, Kaiyu and Borrego-Marin, Emilio and Li, Haozhe and Alawadhi, Ali H. and Rodríguez Navarro, Jorge Andrés and Yaghi, Omar M.},
}