Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Mesoporous Potassium-Based Metal-Organic Framework as a Drug Carrier. [PDF]
Fang B +7 more
europepmc +1 more source
Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo +9 more
wiley +1 more source
In Situ Diffuse Reflectance Infrared Fourier-Transform Spectroscopy Investigation of 1-Methylcyclopropene Adsorption in Cobalt-Formate Metal-Organic Framework. [PDF]
Pnevskaya AY, Tereshchenko AA, Bugaev A.
europepmc +1 more source
This study presents a new hole transporting material (HTM) mechanism for self‐assembled monolayers in near‐infrared organic photodetectors. The formation of zwitterions induces a strong electric field that significantly increases the work function of HTM‐coated indium tin oxide substrates. The devices exhibit low dark current and noise, along with high
Jiyoung Shin +9 more
wiley +1 more source
Colored polymer-reinforced metal-organic framework microparticles with high charge-to-mass ratio for electrophoretic display. [PDF]
Cheng J +7 more
europepmc +1 more source
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won +3 more
wiley +1 more source
Metal-organic framework/MXene-based materials: preparations and applications. [PDF]
Zheng S, Zhou K, Zhang X, Ren N.
europepmc +1 more source
Infrared Nanocrystals for Space Application: Hardness to Irradiations
This article investigates infrared HgTe nanocrystals under X‐ray and ion irradiation, revealing remarkable radiation hardness. It uncovers distinct degradation mechanisms and shows that the nanomaterial outperforms integrated electronics. The results position colloidal nanocrystals as promising candidates for resilient space and harsh‐environment ...
Alexandre Neyret +22 more
wiley +1 more source
Scalable metal-organic framework membranes through nonclassical crystallization for molecular separation. [PDF]
Shi D +13 more
europepmc +1 more source

