Predicting 2D Crystal Packing in Thin Films of Small Molecule Organic Materials
A computational method is proposed for predicting the 2D molecular packing in crystalline thin films of flexible organic molecules. The approach employs a grid search for molecular arrangements, achieving accurate predictions of 2D packing motifs with strongly reduced computational costs.
Alexey O. Gudovannyy+6 more
wiley +1 more source
Electron Screening in Deuteron-Deuteron Reactions on a Zr Target with Oxygen and Carbon Contamination. [PDF]
Kowalska A+9 more
europepmc +1 more source
Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst
This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu+3 more
wiley +1 more source
Magnetic, Phonon, and Optical Properties of Pure and Doped Ba<sub>2</sub>FeReO<sub>6</sub> and Sr<sub>2</sub>CrReO<sub>6</sub>-Bulk Materials and Nanoparticles. [PDF]
Apostolov AT+2 more
europepmc +1 more source
The oxygen spillover from Ir to the oxide support with interfacial oxygen vacancies during OER is revealed. These interfacial oxygen vacancies as an oxygen transport zone not only regulate the in situ Ir catalytic structure toward boosted activity but also suppress Ir over‐oxidation via directional OH‐filling effects, thereby ensuring overall high ...
Yu Zhu+11 more
wiley +1 more source
Study of Z-scan technique, dispersion energy, and Wemple-DiDomenico model on Cu, Cr and Fe doped NiO nanopowder for the determination of nonlinear and linear optical characteristics. [PDF]
Asaldoust F+3 more
europepmc +1 more source
Carboxyl‐functionalized graphene quantum dots (cGQDs) exhibit high singlet oxygen quantum yield due to strong spin–orbit coupling. cGQDs achieve minimum bactericidal concentration of only 0.4 µg mL−1 against S. aureus under low‐intensity illumination.
Muhammad Hassnain+10 more
wiley +1 more source
Ferromagnetism and correlated insulating states in monolayer Mo<sub>33</sub>Te<sub>56</sub>. [PDF]
Pan Z+20 more
europepmc +1 more source
Off‐centering of cations in pavonite‐structured Ag1.75InSb5.75Se11 (AISS) breaks crystal symmetry, inducing Rashba‐like band splitting and high band degeneracy, thus enhancing Seebeck coefficients. Soft bonds between off‐centered cations and Se atoms increase phonon scattering, achieving low lattice thermal conductivity (0.22 W m−1K−1 at 723 K). Doping
Chenghao Xie+7 more
wiley +1 more source
Enhanced Luminescence and Thermal Stability in High Gd<sup>3+</sup>/Eu<sup>3+</sup> Co-Doped Ba<sub>3</sub>Y<sub>4</sub>O<sub>9</sub> Phosphors via Co-Precipitation Method. [PDF]
Zhu D+9 more
europepmc +1 more source