Results 191 to 200 of about 63,555 (259)

Multi-Solvent Graph Neural Network for Reduction Potential Prediction Across the Chemical Space. [PDF]

J Chem Inf Model
Fedorov R, Nihei A, Gryn'ova G.
europepmc   +1 more source

Solvent‐Mediated Reactivity Control of Lewis‐Paired Dopants as a Versatile Strategy for Tunable and Stable Doping of Organic Semiconductors

Advanced Materials, EarlyView.
Solvent‐mediated reactivity control of Lewis‐paired dopants enables highly efficient, finely tunable, and stable doping of organic semiconductors. The optimally doped semiconductor films exhibit superior thermoelectric performance and doping stability, feature delocalized polarons along structurally ordered polymer backbones, and outperform ...
Sang Beom Kim, Eui Hyun Suh, Taek Seong Lee, Andreas W. Erhardt, Iain McCulloch, Jaeyoung Jang   +5 more
wiley   +1 more source

A Study on the Structure of Ideal-Based Non-Zero Divisor Graphs Associated with <i>Z</i> _<i>n</i>. [PDF]

F1000Res
Kadem S, Abd Aubad A.
europepmc   +1 more source

Inverse Design of Amorphous Materials With Targeted Properties

Advanced Materials, EarlyView.
AMDEN is a diffusion model framework for the inverse design of amorphous materials with targeted properties. By incorporating Hamiltonian Monte Carlo refinement into the denoising process, the framework overcomes the challenge of generating thermally relaxed disordered structures.
Jonas A. Finkler, Yan Lin, Tao Du, Jilin Hu, Morten M. Smedskjaer   +4 more
wiley   +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

Foundational issues of network models in biology. [PDF]

Biol Cybern
Bondi D, Bondi D.
europepmc   +1 more source

Resistance to Overdoping Allows Over 2000 S cm−1 Conductivity in P(g3BTTT) With Anion‐Exchange Doping

Advanced Materials, EarlyView.
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, Maximilian M. Horn, Eva Röck, Diego Rosas Villalva, Lize Bynens, Jochen Vanderspikken, Christina Kousseff, Silène Gobeil, Olivier Bardagot, Nesibe Akmanşen‐Kalayci, Sarah H. Tolbert, Iain McCulloch, Wouter Maes, Demetra Tsokkou, Natalie Banerji   +14 more
wiley   +1 more source

Full Symmetry-Breaking of Electronic and Nuclear Dynamics for Low-Attosecond Resolution of Electronic Chirality. [PDF]

ACS Omega
Xu T, Kong J, Zhou T, Wang Y, Tu J, Azizi A, Kirk SR, Jenkins S.   +7 more
europepmc   +1 more source

Laplace‐Pressure‐Stabilized Rutile Solid‐Solution Catalysts for Acidic Water Oxidation: Enabling DSA‐Inspired Compositions

Advanced Materials, EarlyView.
The miscibility of foreign elements in rutile‐type IrO2 and SnO2 is greatly enhanced under high Laplace pressure, where their crystal size is reduced to the nanoscale. This enhancement leads to the successful synthesis of DSA‐composition solid‐solution nanocatalysts with notable durability during the acidic OER in water electrolysis.
Chang Hyun Park, Juneseo Ahn, Dongho Kim, Hyeonsoo Wi, Ki Hyun Park, Jun Seop Kim, Sangmyeong Lee, Sung‐Yoon Chung   +7 more
wiley   +1 more source

From graph theory to chemoinformatics: modified bond-based indices and a hypothesis-driven multi-task QSAR/QSPR benchmark. [PDF]

Sci Rep
Altairi A, Alhaj Z, Alsharafi M, Zeren Y.   +3 more
europepmc   +1 more source