Computational modeling of reticular materials: The past, the present, and the future

W Temmerman, R Goeminne, KS Rawat… - Advanced …, 2024 - Wiley Online Library
Reticular materials rely on a unique building concept where inorganic and organic building
units are stitched together giving access to an almost limitless number of structured ordered …

Adsorbent sha** as enabler for intensified pressure swing adsorption (PSA): A critical review

DA Chisăliţă, J Boon, L Lücking - Separation and Purification Technology, 2024 - Elsevier
Pressure swing adsorption is widely applied in industry for hydrogen purification, methane
recovery, air separation, biomass upgrading, CO 2 recovery, to name a few. To further …

Smart home sleep respiratory monitoring system based on a breath-responsive covalent organic framework

M Yan, Q Hao, S Diao, F Zhou, C Yichen, N Jiang… - ACS …, 2023 - ACS Publications
A smart home sleep respiratory monitoring system based on a breath-responsive covalent
organic framework (COF) was developed and utilized to monitor the sleep respiratory …

Active learning molecular dynamics-assisted insights into ultralow thermal conductivity of two-dimensional covalent organic frameworks

Z Li, H Dong, J Wang, L Liu, JY Yang - … Journal of Heat and Mass Transfer, 2024 - Elsevier
Two-dimensional covalent organic frameworks (2D COFs) are novel materials with high
porosities and large surface areas that are highly sought after for separation technologies …

Integration of Perylene Diimide into a Covalent Organic Framework for Photocatalytic Oxidation

Z Li, J Jiao, W Fu, K Gao, X Peng… - Angewandte Chemie …, 2024 - Wiley Online Library
Perylene diimides (PDIs) have garnered considerable attention due to their immense
potential in photocatalysis. However, manipulating the molecular packing within their …

Lattice dynamics and heat transport in zeolitic imidazolate framework glasses

C Yuan, SS Sørensen, T Du, Z Zhang, Y Song… - The Journal of …, 2024 - pubs.aip.org
The glassy state of zeolitic imidazolate frameworks (ZIFs) has shown great potential for
energy-related applications, including solid electrolytes. However, their thermal conductivity …

Pushing the Limits of Heat Conduction in Covalent Organic Frameworks Through High‐Throughput Screening of Their Thermal Conductivity

S Thakur, A Giri - Small, 2024 - Wiley Online Library
Tailor‐made materials featuring large tunability in their thermal transport properties are
highly sought‐after for diverse applications. However, achievinguser‐defined'thermal …

[HTML][HTML] Vibrational dynamics dictate heat transport in metal-organic frameworks with gas adsorbates

C Yuan, SS Sørensen, T Du, Y Song… - International Journal of …, 2024 - Elsevier
Understanding the thermal conductivity (κ) of metal-organic frameworks (MOFs) with
adsorbates is critical for tailoring their heat dissipation in practical applications. However, a …

Electrostatic interactions dominate thermal conductivity and anisotropy in three-dimensional hydrogen-bonded organic frameworks

R Hu, H Fan, Y Zhou, K Tao, Z Tian, H Ma - International Journal of Heat …, 2024 - Elsevier
Hydrogen-bonded organic frameworks (HOFs), an emerging class of porous molecular
materials assembled through hydrogen bonds (H-bonds), have shown intriguing latent for …

Reversible and high-contrast thermal conductivity switching in a flexible covalent organic framework possessing negative Poisson's ratio

S Thakur, A Giri - Materials Horizons, 2023 - pubs.rsc.org
The ability to dynamically and reversibly control thermal transport in solid-state systems can
redefine and propel a plethora of technologies including thermal switches, diodes, and …