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
Strain- and chirality-engineered tunability of electronic and thermoelectric properties in SiC nanotubes: insights from first-principles calculations. [PDF]
Hussain I +3 more
europepmc +1 more source
Shaping Ti3C2 MXene Nanospheres for Precision Near‐Infrared Photothermal Therapy
In this study, we report producing spherical MXenes via fs laser fragmentation of Ti3C2 flakes in liquid medium. The nanoparticles demonstrated pronounced light absorption and high photothermal conversion efficiencies of 68% and 63% under heating with NIR‐I and NIR‐II lasers, respectively.
Julia S. Babkova +21 more
wiley +1 more source
Author Correction: Ultra-coherent meta-emitter tailors arbitrary thermal wavefront. [PDF]
Chen R +12 more
europepmc +1 more source
Atomic‐Scale Light Coupling Control in Ultrathin Photonic Membranes
Ultrathin photonic nanomembranes provide atomic‐scale control over the coupling between incident light and high‐Q photonic modes, enabling angstrom‐level resonance tuning and strong field confinement. When integrated with TMD monolayers, they further yield enhanced light–matter interactions, offering a versatile platform for advancing quantum photonics,
Chih‐Zong Deng +8 more
wiley +1 more source
Silver Conductive Adhesives with Long Pot Life and Stable Electrical-Thermal Performance. [PDF]
Huang WH, Yang JF, Lai YC, Chen JK.
europepmc +1 more source
This study presents a versatile approach to harnessing miscible aqueous domains, enabling liquid‐in‐liquid compartmentalization using a barrier formed in situ rather than bulk immiscibility. The barrier forms upon the complexation of multifunctional nanoparticles and ligands at the contact boundary of aqueous phases.
Seyyed Alireza Hashemi +7 more
wiley +1 more source
Tunable gas sensing features of Janus In<sub>2</sub>STe monolayers: insights from first-principles and multiphysics studies on SO<sub>2</sub> interaction. [PDF]
Al Nahean R +3 more
europepmc +1 more source
Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero +12 more
wiley +1 more source

