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The rising atmospheric CO₂concentration is one of the biggest challenges human civilization faces. Direct air capture (DAC) that removes CO₂from the atmosphere provides great potential in carbon neutralization. However, the massive land use and capital investment of centralized DAC plants and the energy-intensive process of adsorbent regeneration limit its wide employment. We develop a distributed carbon nanofiber (CNF)–based DAC air filter capable of adsorbing CO₂downstream in ventilation systems. The DAC air filter not only has the potential to remove 596 MtCO₂year⁻¹globally but can also decrease energy consumption in existing building systems. The CNF-based adsorbent has a capacity of 4 mmol/g and can be regenerated via solar thermal or electrothermal methods with low carbon footprints. Through life cycle assessment, the CNF air filter shows a carbon removal efficiency of 92.1% from cradle to grave. Additionally, techno-economic analysis estimates a cost of $209 to 668 in capturing and storing 1 tonne of CO₂from direct air. 

Escalating carbon dioxide (CO2) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as a promising approach to achieving a net-zero carbon future, which offers several practical advantages, such as independence from specific CO2 emission sources, economic feasibility, flexible deployment, and minimal risk of CO2 leakage. The design and optimization of DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order and tunable pore sizes, present an ideal solution for achieving strong guest-host interactions under trace CO2 conditions. This perspective highlights recent advancements in using MOFs for DAC, examines the molecular-level effects of water vapor on trace CO2 capture, reviews data-driven computational screening methods to develop a molecularly programmable MOF platform for identifying optimal DAC sorbents, and discusses scale-up and cost of MOFs for DAC. 

The melting properties and kinetics of glass formation in 2D perovskites can be finely tuned using isomeric organic cations bearing distinct substitutional functional group positions, resulting in enhancement of glass-crystalline switching speed. 

1-Methylhexylammonium tin iodide yields the lowest reported melting temperature ( T m = 142 °C) to date among lead-free hybrid perovskite semiconductors. Molecular branching near the organic ammonium group coupled with tuning of metal/halogen character suppresses T m and facilitates effective melt-based deposition of films with 568 nm absorption onset. 

To study the contribution of three-body dispersion to crystal lattice energies, we compute the three-body contributions to the lattice energies for crystalline benzene, carbon dioxide, and triazine using various computational methods. We show that these contributions converge quickly as the intermolecular distances between the monomers grow. In particular, the smallest value among the three pairwise intermonomer closest-contact distances, Rmin, shows a strong correlation with the three-body contribution to the lattice energy, and, here, the largest of the closest-contact distances, Rmax, serves as a cutoff criterion to limit the number of trimers to be considered. We considered all trimers up to Rmax=15Å. The trimers with Rmin<4Å contribute 90.4%, 90.6%, and 93.9% of the total three-body contributions for crystalline benzene, carbon dioxide, and triazine, respectively, for the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] method. For trimers with Rmin>4Å, the second-order Møller–Plesset perturbation theory (MP2) supplemented with the Axilrod–Teller–Muto (ATM) three-body dispersion correction reproduces the CCSD(T) values for the cumulative three-body contributions with errors of less than 0.1 kJ mol−1. Moreover, three-body contributions are converged within 0.15 kJ mol−1 by Rmax=10Å. From these results, it appears that in molecular crystals where dispersion dominates the three-body contribution to the lattice energy, the trimers with Rmin>4Å can be computed with the MP2+ATM method to reduce the computational cost, and those with Rmax>10Å appear to be basically negligible.