Boosting hole-blocking and electron-transport properties in indacenodithiophene-based molecules. [PDF]
Naseem A +5 more
europepmc +1 more source
Anion‐exchange doping of conjugated polymers is an effective way to achieve high conductivities. Here, we report over 2000 S cm−1 electrical conductivity for doped P(g3BTTT). In addition, we show that P(g3BTTT) sustains exceptionally high doping levels without any drop in the charge mobility.
Basil Hunger +14 more
wiley +1 more source
Computational study of regio- and stereoselectivity in aza-diene cycloadditions with ethyl vinyl ether and methyl acrylate as ethylene derivatives. [PDF]
Chellegui M +3 more
europepmc +1 more source
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Quantum Field Approaches to Chemical Systems. [PDF]
Karimpour R, Gori M, Tkatchenko A.
europepmc +1 more source
Measuring the Hall Effect in Hysteretic Materials
The authors highlight common pitfalls in measuring the Hall effect: in hysteretic magnets, improper data processing can create signals that look exotic but are not real. This Perspective explains the origin of these artifacts and presents practical measurement strategies that help researchers identify reliable Hall responses in complex magnetic ...
Jaime M. Moya +6 more
wiley +1 more source
Fluorine substitution <i>vs.</i> central metal regulation: electronic properties and intrinsic reactivity of Au(iii)- and Ag(iii)-coordinated corroles from comprehensive DFT calculations. [PDF]
Chen Y, Dong L.
europepmc +1 more source
Why Is the Mechanism Underlying the Chiral‐Induced Selectivity Effect Still Challenging?
The chiral‐induced spin selectivity (CISS) effect is observed in many experimental configurations and for different materials. However, there are theoretical challenges in attempting to explain those results. A qualitative framework for explaining all the results is presented.
Ron Naaman, Yossi Paltiel
wiley +1 more source
The Impact of rAdo and <sup>OXO</sup>dGuo on the Electronic Properties of Clustered DNA Lesions: A Theoretical Approach. [PDF]
Karwowski BT.
europepmc +1 more source
Rethinking Charge Transport and Recombination in Donor‐Diluted Organic Solar Cells
Organic solar cells with 1–45% PM6 content in Y12 were studied to link structure and charge dynamics to performance. The conductivity follows a 3D percolation model without a sharp threshold. Donor dilution preserves the photogeneration yield, but limits the fill factor due to transport resistance losses.
Chen Wang +14 more
wiley +1 more source

