Results 181 to 190 of about 4,458,384 (285)

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

ConSolv: Solvent-Conditional Machine Learning Implicit Solvent Potential. [PDF]

J Chem Theory Comput
Zhang L, Zavadlav J.
europepmc   +1 more source

Phase Engineering of Nanomaterials (PEN): Evolution, Current Challenges, and Future Opportunities

Advanced Materials, EarlyView.
This review summarizes the synthesis, phase transition, advanced characterization spanning ex situ to in situ and operando techniques, and diverse applications of phase engineering of nanomaterials (PEN). It further outlines key challenges and future opportunities, such as phase stability, architecture control, and artificial intelligence (AI)‐driven ...
Ye Chen, Zhanxi Fan, Jingjie Ge, Qiyuan He, Zhuangchai Lai, Jiawei Liu, Chaoliang Tan, Hua Zhang   +7 more
wiley   +1 more source

Alloying‐Controlled Tuning of Interfacial Spin‐Orbit Interaction and Magnetic Damping in Crystalline FeCo Thin Films Grown on GaAs(001)

Advanced Materials, EarlyView.
The interfacial spin‐orbit interaction in single‐crystalline Fe1−xCox thin films grown on GaAs(001) can be continuously tuned via alloying. Using spin‐orbit ferromagnetic resonance, the authors find that the interfacial spin‐orbit fields exhibit a nonmonotonic dependence on Co concentration, with a minimum at 20% Co. ABSTRACT The discovery of intrinsic
Hongrui Lao, Matthias Kronseder, Zhe Yuan, Thomas Narr, Thomas N. G. Meier, Nadine Mundigl, Xianlin Qu, Zhongchang Wang, Christian H. Back, Lin Chen   +9 more
wiley   +1 more source

Dynamic Electrophoretic Assembly Coupled With Water‐Splitting‐Induced pH Control Enables Precision Ion Sieving Membranes

Advanced Materials, EarlyView.
A green, external‐catalyst‐free route grows defect‐free covalent organic framework membranes directly on ion‐exchange supports using an alternating electric field and in situ‐generated acid. Through a self‐regulating, self‐healing mechanism, the membranes achieve near‐complete, ultra‐fast separation of monovalent ions such as Li+, Na+, and K+, offering
Mohammad Hossein Jandaghian, Petric Marc Ruya, Ipek Ozyurt, Ali Atyabi, Samuel Eyley, Wim Thielemans, Alexander Volodin, Riccardo Alessandri, Xing Yang   +8 more
wiley   +1 more source

Quantum chemical profiling of the electronic structure and hydrolytic stability of modified ribonucleosides.

Phys Chem Chem Phys
Kojasoy V, Raines RT.
europepmc   +1 more source

Multiscale Numerical Modelling and Structural Design of Bulk Heterojunction Nanocomposites for Organic Photovoltaics: From Molecular Interfaces to Device Optimization. [PDF]

Materials (Basel)
Dong J, Guo Z, Hao W, Li H.
europepmc   +1 more source

Spectral Selective and Low‐Noise Thin‐Film Organic Photodetectors Enabled by Electric‐Field Engineering

Advanced Materials, EarlyView.
Molecular doping redistributes the internal electric field in organic photodetectors, providing a new degree of freedom to spatially control carrier transport and collection. Simulations and experiments reveal distinct transport pathways for injected and photogenerated carriers, enabling low dark current under reverse bias and wavelength‐selective ...
Jingwei Yi, Yi Yang, Vahid Mahdikhah, Yibo Shi, Jordan Shanahan, Apurva Gadikar, Yusen Pei, Xinyun Dong, Jacob P Mauthe, Reece Henry, Kenan Gundogdu, Brendan T. O'Connor, Aram Amassian, Harald Ade, Wei You, Franky So   +15 more
wiley   +1 more source

Accurate Solution-Phase Thermodynamics via Composite Quantum Chemistry and Machine Learning: Application to Biomass Decomposition. [PDF]

J Comput Chem
Fujinami M, Okubo A, Ogo S, Onda A, Nakai H.   +4 more
europepmc   +1 more source

Single‐Particle FRET Probes Heterogeneity in the Ligand Shell of Colloidal Perovskite Quantum Dots

Advanced Materials, EarlyView.
Single‐particle, single‐molecule Förster resonance energy transfer turns dye‐tagged ligands into nanorulers for the otherwise elusive organic shell of CsPbBr3 quantum dots. Distance variations within individual particles reveal pronounced local heterogeneity, while changes in the surrounding ligand chemistry shift the average dye–surface separation ...
Leon G. Feld, Oleksandr Kolomiiets, Noah A. Shahin, Sebastian Sabisch, Amrutha Rajan, Gabriele Rainò, Maksym V. Kovalenko   +6 more
wiley   +1 more source