@article{b028d3060f21440c9484f7ebb0e0d668,
title = "Exceptional Packing Density of Ammonia in a Dual-Functionalized Metal–Organic Framework",
abstract = "We report the reversible adsorption of ammonia (NH3) up to 9.9 mmol g–1 in a robust Al-based metal–organic framework, MFM-303(Al), which is functionalized with free carboxylic acid and hydroxyl groups. The unique pore environment decorated with these acidic sites results in an exceptional packing density of NH3 at 293 K (0.801 g cm–3) comparable to that of solid NH3 at 193 K (0.817 g cm–3). In situ synchrotron X-ray diffraction and inelastic neutron scattering reveal the critical role of free −COOH and −OH groups in immobilizing NH3 molecules. Breakthrough experiments confirm the excellent performance of MFM-303(Al) for the capture of NH3 at low concentrations under both dry and wet conditions.",
author = "Christopher Marsh and Xue Han and Jiangnan Li and Zhenzhong Lu and Argent, {Stephen P.} and {Da Silva}, Ivan and Yongqiang Cheng and Daemen, {Luke L.} and Ramirez-cuesta, {Anibal J.} and Thompson, {Stephen P.} and Blake, {Alexander J.} and Sihai Yang and Martin Schr{\"o}der",
note = "Funding Information: We thank the EPSRC (EP/I011870), the Royal Society and the University of Manchester for funding. This project has received funding from the European Research Council (ERC) under the European Union{\textquoteright}s Horizon 2020 research and innovation programme (grant agreement No 742401, NANOCHEM). We are grateful to Diamond Light Source for access to the beamlines I11 and I19. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. The computing resources were made available through the VirtuES and the ICE-MAN projects, funded by Laboratory Directed Research and Development program and Compute and Data Environment for Science (CADES) at ORNL. J.L. thanks China Scholarship Council (20160625002) for funding. Publisher Copyright: {\textcopyright}",
year = "2021",
month = may,
day = "5",
doi = "10.1021/jacs.1c01749",
language = "English",
volume = "143",
pages = "6586--6592",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "17",
}