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
Curcumin-loaded nanoscale coordination polymers for ROS scavenging and anti-inflammatory therapy in atherosclerosis. [PDF]
Ding S +10 more
europepmc +1 more source
Switchable Supramolecular Adhesive by Tuning Interfacial Bonding and Modulus
The supramolecular adhesive (HyDiP) shows reversible adhesion and recyclability. In the dehydrated state, it is dense, stiff (E ≈445 MPa), transparent, and provides strong bonding with adhesion strengths up to 4.65 MPa. In the hydrated state, it becomes porous, soft (E ≈0.11 MPa), and detaches easily, enabling sustainable high‐strength applications ...
Rumin Fu +10 more
wiley +1 more source
Binary Phase Diagrams of Coordination Polymers with Eutectic Behaviors. [PDF]
Atthawilai K +4 more
europepmc +1 more source
Encoding Magnetic Anisotropies in Digital Light Processing 3D Printing
A hybrid magnetic device—combining a coaxial coil within a nested Halbach array—is presented, integrated into a DLP 3D printer to enable spatially resolved magnetic field control. This system enables complex, multimodal responses by programming liquid crystal elastomer resins for magnetic and thermal actuation, and by inducing electrically conductive ...
Eléonore Aïdonidis +11 more
wiley +1 more source
Metal Exchange in Thioguanosine Coordination Polymers of Gold (I) and Silver (I). [PDF]
Tangsombun C +4 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
Luminescent Lanthanide Infinite Coordination Polymers for Ratiometric Sensing Applications. [PDF]
Song Z +6 more
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
Defect-tolerant electron and defect-sensitive phonon transport in quasi-2D conjugated coordination polymers. [PDF]
Un HI +9 more
europepmc +1 more source

