Results 171 to 180 of about 8,649 (251)

Q-CaDD: accelerating in silico methodologies with quantum computation and machine learning for Epidermal growth factor receptor. [PDF]

Sci Rep
Badarala L.
europepmc   +1 more source

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

Advanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.

Digit Discov
Hinostroza Caldas A, Kokorin A, Tkatchenko A, Medrano Sandonas L.   +3 more
europepmc   +1 more source

Measuring the Hall Effect in Hysteretic Materials

Advanced Materials, EarlyView.
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, Anthony Voyemant, Sudipta Chatterjee, Scott B. Lee, Grigorii Skorupskii, Connor J. Pollak, Leslie M. Schoop   +6 more
wiley   +1 more source

DFT-ML-Based Property Prediction of Transition Metal Complex Photosensitizers for Photodynamic Therapy. [PDF]

ACS Omega
Gao J, Dong Y, Qiu T, Sun W, Du J.
europepmc   +1 more source

Why Is the Mechanism Underlying the Chiral‐Induced Selectivity Effect Still Challenging?

Advanced Materials, EarlyView.
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

Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots

Advanced Materials, EarlyView.
A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler, Benjamin Aymoz, Sebastian Sabisch, Stefanie Frick, Sebastian Siol, Dmitry N. Dirin, Simon C. Boehme, Maksym V. Kovalenko   +7 more
wiley   +1 more source

Thermodynamics-Informed Machine Learning of Organic Electrode Material Solubility in Nonaqueous Electrolytes. [PDF]

J Phys Chem B
Houser AM, Muthyala MR, Sorourifar F, Xu J, Paulson JA, Zhang S.   +5 more
europepmc   +1 more source

Laser‐Assisted Phase Engineering of 2D MoS2 for Efficient Solution‐Processed Electronics

Advanced Materials, EarlyView.
Here, local laser‐assisted phase transition from solution‐processed phase‐pure 1T′ to 2H MoS2 is shown to critically depend on the irradiation atmosphere. While processing in air leads to damaged insulating regions, inert conditions yield semiconducting 2H domains, enabling direct field‐effect transistor patterning with optimized lateral 1T′‐2H MoS2 ...
Anna Zhuravlova, Minjuan Li, Osamah Alharbi, Yeonsu Jeong, Bin Han, Lei Gao, Mischa Bonn, Mario Lanza, Sheng Yang, Antonio Gaetano Ricciardulli, Paolo Samorì   +10 more
wiley   +1 more source

Rethinking Charge Transport and Recombination in Donor‐Diluted Organic Solar Cells

Advanced Materials, EarlyView.
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, Christopher Wöpke, Toni Seiler, Jared Faisst, Mathias List, Meike Kuhn, Bekcy Joseph, Alexander Ehm, Dietrich R. T. Zahn, Yana Vaynzof, Eva M. Herzig, Roderick C. I. Mackenzie, Uli Würfel, Maria Saladina, Carsten Deibel   +14 more
wiley   +1 more source