Results 151 to 160 of about 40,239 (260)

qcGEM: A Graph-Based Molecular Representation With Quantum Chemistry Awareness. [PDF]

Adv Sci (Weinh)
Wang H, Zhang Z, Ng SH, Gong H.
europepmc   +1 more source

Transparent Perovskite Light‐Emitting Diodes with Conductive Oxide Top Electrodes

Advanced Materials, EarlyView.
Transparent perovskite light‐emitting diodes (TrPeLEDs) enable simultaneous display and transparency, expanding application possibilities. Using a metal oxide buffer layer and pulsed laser deposition, TrPeLEDs with diverse compositions and architectures are demonstrated.
Michele Forzatti, Sergio Martínez‐Saiz, Morena Cervino, Edoardo Stanzani, Sandra Jenatsch, Qingsen Zeng, Joo Sung Kim, Dong‐Hyeok Kim, Eojin Yoon, Tae‐Woo Lee, Daniel Tordera, Henk J. Bolink   +11 more
wiley   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Testing a Potential Averaging for Quantum Inelastic Dynamics. [PDF]

J Phys Chem A
Giri K, Rana S, Lourderaj U, Sathyamurthy N, Yurtsever E, Dulitz K, Gianturco FA.   +6 more
europepmc   +1 more source

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

Relaxation approach to quantum-mechanical modeling of ferroelectric and antiferroelectric phase transitions. [PDF]

Nat Commun
Maity N, Lisenkov S, Valdespino A, Haddad M, Jones L, Kumar A, Bassiri-Gharb N, Ponomareva I.   +7 more
europepmc   +1 more source

Network-Forming Nanoclusters in Binary As-S/Se Glasses: From Ab Initio Quantum Chemical Modeling to Experimental Evidences. [PDF]

Nanoscale Res Lett, 2017
Hyla M.
europepmc   +1 more source

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

Domain-Aware Feature Engineering for Prediction of Molecular Optical Interference in High-Throughput Screening. [PDF]

J Chem Inf Model
Stefaniak F.
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