Outputs (110)

Multiple low-energy excitons and optical response of d0 double perovskite Ba2ScTaO6 (2022)
Journal Article
Himanshu, A., Kumar, S., Dey, U., & Ray, R. (2022). Multiple low-energy excitons and optical response of d0 double perovskite Ba2ScTaO6. Physica B: Condensed Matter, 637, Article 413856. https://doi.org/10.1016/j.physb.2022.413856

Large bandgap insulators are considered promising for applications such as photocatalysts, dielectric resonators and interference lters. Based on synchrotron X-ray diraction, diuse re ectance measurement and density functional theory, we report the c... Read More about Multiple low-energy excitons and optical response of d0 double perovskite Ba2ScTaO6.

The Metal: A Model for Modern Physics (2022)
Book Chapter
Lancaster, T. (2022). The Metal: A Model for Modern Physics. In From Electrons to Elephants and Elections. Springer Verlag. https://doi.org/10.1007/978-3-030-92192-7_21

Electrospray ionization of native membrane proteins proceeds via a charge equilibration step (2022)
Journal Article
Yen, H.-Y., Abramsson, M. L., Agasid, M. T., Lama, D., Gault, J., Liko, I., Kaldmäe, M., Saluri, M., Qureshi, A. A., Suades, A., Drew, D., Degiacomi, M. T., Marklund, E. G., Allison, T. M., Robinson, C. V., & Landreh, M. (2022). Electrospray ionization of native membrane proteins proceeds via a charge equilibration step. RSC Advances, 12(16), 9671-9680. https://doi.org/10.1039/d2ra01282k

Electrospray ionization mass spectrometry is increasingly applied to study the structures and interactions of membrane protein complexes. However, the charging mechanism is complicated by the presence of detergent micelles during ionization. Here, we... Read More about Electrospray ionization of native membrane proteins proceeds via a charge equilibration step.

Novel Easy to Synthesize Benzonitrile Compounds with Mixed Carbazole and Phenoxazine Substituents Exhibiting Dual Emission and TADF Properties (2022)
Journal Article
Maggiore, A., Qu, Y., Guillot, R., Pander, P., Vasylieva, M., Data, P., Dias, F. B., Audebert, P., Clavier, G., & Miomandre, F. (2022). Novel Easy to Synthesize Benzonitrile Compounds with Mixed Carbazole and Phenoxazine Substituents Exhibiting Dual Emission and TADF Properties. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 126(14), 2740-2753. https://doi.org/10.1021/acs.jpcb.2c00219

The photophysical and electrochemical properties of a new class of fluorinated benzonitrile compounds substituted with mixed phenoxazine and carbazole units have been investigated. When absorbing in a large range of the UV–vis spectrum due to both lo... Read More about Novel Easy to Synthesize Benzonitrile Compounds with Mixed Carbazole and Phenoxazine Substituents Exhibiting Dual Emission and TADF Properties.

Extended Conjugation Attenuates the Quenching of Aggregation-Induced Emitters by Photocyclization Pathways (2022)
Journal Article
Turley, A., Saha, P., Danos, A., Bismillah, A., Monkman, A., Yufit, D., Curchod, B., Etherington., M., & McGonigal, P. (2022). Extended Conjugation Attenuates the Quenching of Aggregation-Induced Emitters by Photocyclization Pathways. Angewandte Chemie International Edition, 61(24), Article e202202193. https://doi.org/10.1002/anie.202202193

Herein, we expose how the antagonistic relationship between solid-state luminescence and photocyclization of oligoaryl alkenes chromophores is modulated by the conjugation length of their alkenyl backbones. Heptaaryl cycloheptatriene molecular rotors... Read More about Extended Conjugation Attenuates the Quenching of Aggregation-Induced Emitters by Photocyclization Pathways.

Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter (2022)
Journal Article
Cardeynaels, T., Etherington, M. K., Paredis, S., Batsanov, A. S., Deckers, J., Stavrou, K., Vanderzande, D., Monkman, A. P., Champagne, B., & Maes, W. (2022). Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(15), https://doi.org/10.1039/d1tc04913e

Colour purity and stability in multi-donor thermally activated delayed fluorescence (TADF) emitters has significant implications for commercial organic light-emitting diode (OLED) design. The formation of emissive dimer states in the well-known 1,2,3... Read More about Dominant dimer emission provides colour stability for red thermally activated delayed fluorescence emitter.

The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives (2022)
Journal Article
Aksoy, E., Danos, A., Li, C., Monkman, A., & Varlikli, C. (2022). The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives. Turkish journal of science and technology, 17(1), 11-21. https://doi.org/10.55525/tjst.952823

Solid state optical properties of fluorescent materials are important for many photonic devices such as organic light emitting diodes, frequency down-converters or luminescent solar concentrators. Perylene diimides (PDIs) represent one of the most po... Read More about The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives.

Density functionals with spin-density accuracy for open shells (2022)
Journal Article
Callow, T., Pearce, B., & Gidopoulos, N. (2022). Density functionals with spin-density accuracy for open shells. The Journal of Chemical Physics, 156(11), Article 111101. https://doi.org/10.1063/5.0071991

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and correlation (... Read More about Density functionals with spin-density accuracy for open shells.

Computational Simulations Using Time-Dependent Ginzburg–Landau Theory for Nb–Ti-Like Microstructures (2022)
Journal Article
Haddon, C., Blair, A., Schoofs, F., & Hampshire, D. (2022). Computational Simulations Using Time-Dependent Ginzburg–Landau Theory for Nb–Ti-Like Microstructures. IEEE Transactions on Applied Superconductivity, 32(4), Article 8800105. https://doi.org/10.1109/tasc.2022.3156916

Simulations based on time-dependent Ginzburg–Landau theory are employed to determine the critical current for a model system which represents a Nb–Ti-like pinning landscape at low drawing strain. The system consists of ellipsoids of normal metal, wit... Read More about Computational Simulations Using Time-Dependent Ginzburg–Landau Theory for Nb–Ti-Like Microstructures.

Critical Current Densities through Josephson Junctions in Low Magnetic Fields (2022)
Journal Article
Din, B., Blair, A., Schoofs, F., & Hampshire, D. (2022). Critical Current Densities through Josephson Junctions in Low Magnetic Fields. IEEE Transactions on Applied Superconductivity, 32(4), Article 8000805. https://doi.org/10.1109/tasc.2022.3156908

Understanding the properties of grain boundaries in polycrystalline superconductors is essential for optimizing their critical current density. Here, we provide computational simulations of 2D Josephson junctions (JJs) in low magnetic fields using ti... Read More about Critical Current Densities through Josephson Junctions in Low Magnetic Fields.

Structural Diversity of Rare-Earth Oxychalcogenides (2022)
Journal Article
Orr, M., Hebberd, G. R., McCabe, E. E., & Macaluso, R. T. (2022). Structural Diversity of Rare-Earth Oxychalcogenides. ACS Omega, 7(10), 8209-8218. https://doi.org/10.1021/acsomega.2c00186

Mixed-anion systems have garnered much attention in the past decade with attractive properties for diverse applications such as energy conversion, electronics, and catalysis. The discovery of new materials through mixed-cation and single-anion system... Read More about Structural Diversity of Rare-Earth Oxychalcogenides.

Magnetic damping in ferromagnetic/heavy-metal systems: The role of interfaces and the relation to proximity-induced magnetism (2022)
Journal Article
Swindells, C., Głowiński, H., Choi, Y., Haskel, D., Michałowski, P., Hase, T., Stobiecki, F., Kuświk, P., & Atkinson, D. (2022). Magnetic damping in ferromagnetic/heavy-metal systems: The role of interfaces and the relation to proximity-induced magnetism. Physical Review B, 105(9), Article 094433. https://doi.org/10.1103/physrevb.105.094433

Damping and spin transport in spintronic multilayered systems continues to be a topic of active research. The enhancement of damping in ferromagnet (FM)/spacer layer (SL)/heavy-metal (HM) thin-film systems was studied for Co 25 Fe 75 / SL / Pt with a... Read More about Magnetic damping in ferromagnetic/heavy-metal systems: The role of interfaces and the relation to proximity-induced magnetism.

A study of the dynamics and structure of the dielectric anomaly within the molecular solid TEA(TCNQ)2 (2022)
Journal Article
Berlie, A., Terry, I., Szablewski, M., Telling, M., Apperley, D., Hodgkinson, P., & Zeller, D. (2022). A study of the dynamics and structure of the dielectric anomaly within the molecular solid TEA(TCNQ)2. Physical Chemistry Chemical Physics, 24(12), 7481-7492. https://doi.org/10.1039/d2cp00142j

With rising interest in organic-based functional materials, it is important to understand the nature of magnetic and electrical transitions within these types of systems. One intriguing material is triethylammonium bis-7,7,8,8-tetracyanoquinodimethan... Read More about A study of the dynamics and structure of the dielectric anomaly within the molecular solid TEA(TCNQ)2.

Experimental Simulation of Burial Diagenesis and Subsequent 2D-3D Characterization of Sandstone Reservoir Quality (2022)
Journal Article
Charlaftis, D., Dobson, K. J., Jones, S. J., Lakshtanov, D., Crouch, J., & Cook, J. (2022). Experimental Simulation of Burial Diagenesis and Subsequent 2D-3D Characterization of Sandstone Reservoir Quality. Frontiers in Earth Science, 10, Article 766145. https://doi.org/10.3389/feart.2022.766145

Characterization of deeply buried sandstones and their reservoir quality is of paramount importance for exploring, developing, and subsurface storage of energy resources. High reservoir quality in deeply buried sandstones is commonly correlated with... Read More about Experimental Simulation of Burial Diagenesis and Subsequent 2D-3D Characterization of Sandstone Reservoir Quality.

Determining non-radiative decay rates in TADF compounds using coupled transient and steady state optical data (2022)
Journal Article
Sem, S., Jenatsch, S., Stavrou, K., Danos, A., Monkman, A. P., & Ruhstaller, B. (2022). Determining non-radiative decay rates in TADF compounds using coupled transient and steady state optical data. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(12), 4878-4885. https://doi.org/10.1039/d1tc05594a

Thermally-activated delayed fluorescence (TADF) compounds are promising materials used in emissive layers of organic light-emitting diodes (OLEDs). Their main benefit is that they allow the internal quantum efficiency of the OLED to reach up to 100%... Read More about Determining non-radiative decay rates in TADF compounds using coupled transient and steady state optical data.

TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Dias, F. B., Zeng, C., Yan, S., Bryce, M. R., & Ren, Z. (2022). TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs. Chemical Engineering Journal, 435, Article 134924. https://doi.org/10.1016/j.cej.2022.134924

A novel type of thermally activated delayed fluorescence (TADF) dendronized polymer was designed and synthesized. Firstly, one side of the asymmetric TADF unit was encapsulated by 3,6-di-tert-butylcarbazole via a conjugated linkage with strong twiste... Read More about TADF dendronized polymer with vibrationally enhanced direct spin-flip between charge-transfer states for efficient non-doped solution-processed OLEDs.

Selenium passivates grain boundaries in alloyed CdTe solar cells (2022)
Journal Article
Fiducia, T., Howkins, A., Abbas, A., Mendis, B., Munshi, A., Barth, K., Sampath, W., & Walls, J. (2022). Selenium passivates grain boundaries in alloyed CdTe solar cells. Solar Energy Materials and Solar Cells, 238, Article 111595. https://doi.org/10.1016/j.solmat.2022.111595

Cadmium telluride (CdTe) solar cells have achieved efficiencies of over 22%, despite having absorber layer grain sizes less than 10 μm and hence a very high density of grain boundaries. Recent research has shown that this is possible because of parti... Read More about Selenium passivates grain boundaries in alloyed CdTe solar cells.

Enhanced electron-phonon coupling near an electronic quantum phase transition (2022)
Journal Article
Gidopoulos, N. (2022). Enhanced electron-phonon coupling near an electronic quantum phase transition. Journal of Physics: Condensed Matter, 34(14), Article 14LT01. https://doi.org/10.1088/1361-648x/ac4dbe

I construct a simple model to demonstrate that when the manyelectron quantum state of a material is near a quantum phase transition and the vibrational motion of a phonon explores the potential energy surface near the transition point, then an impene... Read More about Enhanced electron-phonon coupling near an electronic quantum phase transition.

Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta) (2022)
Journal Article
Hicken, T., Hawkhead, Z., Wilson, M., Huddart, B., Hall, A., Balakrishnan, G., Wang, C., Pratt, F., Clark, S., & Lancaster, T. (2022). Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta). Physical Review B, 105(6), Article L060407. https://doi.org/10.1103/physrevb.105.l060407

The helimagnets Cr1/3MS2 (M = Nb or Ta) have attracted renewed attention due to the discovery of a chiral soliton lattice (CSL) stabilized in an applied magnetic field, but reports of unusual low-temperature transport and magnetic properties in this... Read More about Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta).

Probing the magnetic polaron state in the ferromagnetic semiconductor HgCr2Se4 with muon-spin spectroscopy and resistance-fluctuation measurements (2022)
Journal Article
Mitschek, M., Hicken, T. J., Yang, S., Wilson, M. N., Pratt, F. L., Wang, C., Blundell, S. J., Li, Z., Li, Y., Lancaster, T., & Müller, J. (2022). Probing the magnetic polaron state in the ferromagnetic semiconductor HgCr2Se4 with muon-spin spectroscopy and resistance-fluctuation measurements. Physical Review B, 105(6), Article 064404. https://doi.org/10.1103/physrevb.105.064404

Combined resistance noise and muon-spin relaxation (μSR) measurements of the ferromagnetic semiconductor HgCr2Se4 suggest a degree of magnetoelectric coupling and provide evidence for the existence of isolated magnetic polarons. These form at elevate... Read More about Probing the magnetic polaron state in the ferromagnetic semiconductor HgCr2Se4 with muon-spin spectroscopy and resistance-fluctuation measurements.