Results 211 to 220 of about 12,411,912 (281)

(TD)DFT investigation of donor influence on the electronic and photovoltaic properties of D-π-A-π-A quinoxaline dyes. [PDF]

J Mol Model
Soeiro MM, Rosa NMP, Borges I.
europepmc   +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

A Comprehensive View on the Molecular Mechanism of the Diels-Alder Reaction Between 2,3-Dimethylbutadiene and E-2-Phenyl-1-Nitroethene: CDFT/ELF, ¹⁴C Kinetic Isotope Effects, Electron Density Transfers, Reaction Profiles and BET Analyses. [PDF]

Int J Mol Sci
Woliński P, Łącka W, Jasiński R.
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

n‐Type Polymer Radio Frequency Rectifiers Operating at 18.5 GHz

Advanced Materials, EarlyView.
Combining an n‐doped polymer semiconductor with wafer‐scale asymmetric planar electrodes featuring work function‐engineered contacts yields radio‐frequency diodes and rectifying circuits operating at up to 18.5 GHz. The devices combine scalable manufacturing with an operating frequency previously unattainable by large‐area organic electronics ...
Lazaros Panagiotidis, Filip Aniés, Yiyang Yu, Mohammed Ghadiyali, Hendrik Faber, Zhanibek Bizak, Youssef Kabri, Pavlos Tzourmpakis, Suman Mandal, Linqu Luo, Temur Maksudov, Mohamad Insan Nugraha, Harold F. Mazo‐Mantilla, Patrice Vanelle, Julie Broggi, Khaled N. Salama, Udo Schwingenschlögl, Martin Heeney, Atif Shamim, Thomas D. Anthopoulos   +19 more
wiley   +1 more source

Interfacial Polarization and Charge Transfer in Al₁₃ Superatom-Organic Interfaces: Role of Frontier Orbital Overlap. [PDF]

ACS Omega
Chiong MR, Nakajima A, Morikawa Y.
europepmc   +1 more source

Multicenter Bonding in Wilkinson's Catalyst: A Theoretical Study from a Distorted Monomer to a Localized Dimer. [PDF]

J Phys Chem A
Zaichenko A, Bettinger HF, Fleischer I, Mollenhauer D.   +3 more
europepmc   +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

Fluorine-engineered thienyl-fused non-fullerene acceptors based on as-indacene for high-performance organic solar cells: a DFT study. [PDF]

RSC Adv
Kumar S, Singh A, Mishra M, Yadav A.
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