Results 151 to 160 of about 109,018 (245)

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source

Gapless Superconductivity From Extremely Dilute Magnetic Disorder in 2H‐NbSe2‐xSx

Advanced Materials, EarlyView.
We demonstrate that 2H‐NbSe2‐xSx hosts gapless superconductivity at unexpectedly low magnetic impurity concentrations. Combining STM, Bogoliubovde Gennes simulations, DFT, and quasiparticle interference, we comprehensively study the development of gapless behavior and show that SeS substitution reshapes the band structure, enhances nesting, and drives ...
Jose Antonio Moreno, Mercè Roig, Víctor Barrena, Edwin Herrera, Alberto M. Ruiz, Samuel Mañas‐Valero, Antón Fente, Anita Smeets, Jazmín Aragón, Yanina Fasano, Beilun Wu, Maria N. Gastiasoro, Eugenio Coronado, José J. Baldoví, Brian M. Andersen, Isabel Guillamón, Hermann Suderow   +16 more
wiley   +1 more source

Single‐Chromophore Homojunction Organic Solar Cells: A Path to Simplicity and Efficiency

Advanced Materials, EarlyView.
This perspective discusses how the intrinsic optoelectronic properties of organic semiconductors, their molecular packing in the solid‐state, and internal energetic gradients within a device can enable free‐charge carrier generation in homojunction organic solar cells.
Shaun McAnally, Paul L. Burn, Paul E. Shaw   +2 more
wiley   +1 more source

The Selectivity Implications of Docking Libraries with Greater and Lesser Similarities to Bio-like Molecules. [PDF]

J Med Chem
Hall BW, Sakamoto K, Huang XP, Irwin JJ, Shoichet BK, Roth BL.   +5 more
europepmc   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

On-DNA Platform Molecules Based on a Diazide Scaffold II: A Compact Diazide Platform Designed for Small-Molecule Drug Discovery. [PDF]

Int J Mol Sci
Miyachi H, Koshimizu M, Suzuki M.
europepmc   +1 more source

Azobenzene's Cross‐Scale Optics and Photonics: Molecular Photoswitching, Mesoscopic Material Motions, and Adaptive Devices

Advanced Materials, EarlyView.
Azobenzene photoswitches translate molecular‐scale E/Z photoisomerization into macroscopic material responses and device‐level photonic functions. This Review highlights how azobenzene research has evolved from molecular photochemistry to photoalignment, mass migration, photomechanics, and heat release, ultimately enabling holography, reconfigurable ...
Heeju Son, Soyul Kwak, Heerin Noh, Minsang Kim, Doyeon Noh, Subhayan Chakraborty, Jaewon Lee, YongDeok Cho, Kyeongsoo Kim, Taewoong Eom, Moonyoung Kim, Jangwon Kim, Hoyoung Lee, Soyoung Lee, Jaehun Kim, Grace G. D. Han, Shin‐Tson Wu, Stefano Oscurato, Arri Priimagi, Marina Saphiannikova, Seungwoo Lee   +20 more
wiley   +1 more source

SARS-CoV-2 Antivirals Identified from Small Molecule Modulators of Programmed -1 Ribosomal Frameshifting. [PDF]

ACS Infect Dis
Swanson Hay EG, Maille MM, Zafferani M, Puray-Chavez M, Xia M, Luu TB, Muralidharan D, Li ML, Brewer G, Kutluay SB, Mouzakis KD, Hargrove AE.   +11 more
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

Molecular deep learning at the edge of chemical space. [PDF]

Nat Mach Intell
van Tilborg D, Rossen L, Grisoni F.
europepmc   +1 more source