Outputs (85)

Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons (2022)
Journal Article
Edkins, R. M., Hsu, Y.-T., Fox, M. A., Yufit, D., Beeby, A., & Davidson, R. J. (2022). Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons. Organometallics, 41(17), 2487-2493. https://doi.org/10.1021/acs.organomet.2c00292

Bis-heteroleptic cyclometalated iridium complexes of the form Ir(La)2(acac), where La is a substituted 2-phenylpyridine derivative and acac is an acetylacetonato ligand, are a useful class of luminescent organometallic complexes for a range of applic... Read More about Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons.

Experimental diagenesis using present-day submarine turbidite sands (2022)
Journal Article
Bello, A. M., Charlaftis, D., Jones, S. J., Gluyas, J., Acikalin, S., Cartigny, M., & Al-Ramadan, K. (2022). Experimental diagenesis using present-day submarine turbidite sands. Frontiers in Earth Science, 10, https://doi.org/10.3389/feart.2022.952690

Hydrothermal-reactor experiments were conducted to investigate the potential formation of chlorite and microquartz grain coatings on detrital quartz and feldspar grains, and to understand their role in inhibiting the formation of quartz cement and fe... Read More about Experimental diagenesis using present-day submarine turbidite sands.

Excimer or aggregate? Near infrared electro- and photoluminescence from multimolecular excited states of N^C^N-coordinated platinum(ii) complexes (2022)
Journal Article
Pander, P., Sil, A., Salthouse, R. J., Harris, C. W., Walden, M. T., Yufit, D. S., …Dias, F. B. (2022). Excimer or aggregate? Near infrared electro- and photoluminescence from multimolecular excited states of N^C^N-coordinated platinum(ii) complexes. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(40), 15084-15095. https://doi.org/10.1039/d2tc01511k

We present an experimental and theoretical study of aggregate excited states formed by complexes of the type Pt(N^C^N)Cl, which display near-infrared (NIR) photoluminescence in film and NIR electroluminescence in OLED devices. Here, N^C^N represents... Read More about Excimer or aggregate? Near infrared electro- and photoluminescence from multimolecular excited states of N^C^N-coordinated platinum(ii) complexes.

MuFinder: A program to determine and analyse muon stopping sites (2022)
Journal Article
Huddart, B., Hernández-Melián, A., Hicken, T., Gomilšek, M., Hawkhead, Z., Clark, S., …Lancaster, T. (2022). MuFinder: A program to determine and analyse muon stopping sites. Computer Physics Communications, 280, https://doi.org/10.1016/j.cpc.2022.108488

Significant progress has recently been made in calculating muon stopping sites using density functional theory. The technique aims to address two of the most common criticisms of the muon-spin spectroscopy (μ+SR) technique, namely, where in the sampl... Read More about MuFinder: A program to determine and analyse muon stopping sites.

Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System (2022)
Journal Article
Billington, D., Riordan, E., Salman, M., Margineda, D., Gill, G. J., Cottrell, S. P., …Giblin, S. R. (2022). Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System. Physical Review Letters, 129(7), https://doi.org/10.1103/physrevlett.129.077201

Entangled spin states are created by implanting muons into single-crystal LiY0.95Ho0.05F4 to form a cluster of correlated, dipole-coupled local magnetic moments. The resulting states have well-defined energy levels allowing experimental manipulation... Read More about Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System.

Thermally Activated Delayed Fluorescence: Polarity, Rigidity, and Disorder in Condensed Phases (2022)
Journal Article
Phan Huu, D. A., Saseendran, S., Dhali, R., Gomes Franca, L., Stavrou, K., Monkman, A., & Painelli, A. (2022). Thermally Activated Delayed Fluorescence: Polarity, Rigidity, and Disorder in Condensed Phases. Journal of the American Chemical Society, 144(33), 15211 - 15222. https://doi.org/10.1021/jacs.2c05537

We present a detailed and comprehensive picture of the photophysics of thermally activated delayed fluorescence (TADF). The approach relies on a few-state model, parametrized ab initio on a prototypical TADF dye, that explicitly accounts for the nona... Read More about Thermally Activated Delayed Fluorescence: Polarity, Rigidity, and Disorder in Condensed Phases.

X-ray holographic imaging of magnetic surface spirals in FeGe lamellae (2022)
Journal Article
Turnbull, L., Littlehales, M., Wilson, M., Birch, M., Popescu, H., Jaouen, N., …Hatton, P. (2022). X-ray holographic imaging of magnetic surface spirals in FeGe lamellae. Physical Review B, 106(6), Article 064422. https://doi.org/10.1103/physrevb.106.064422

Isotropic helimagnets are known to host a diverse range of chiral magnetic states. In 2016, Rybakov et al., theorized the presence of a surface-pinned stacked spin spiral phase [F. N. Rybakov et al., New J. Phys. 18, 045002 (2016)], which has yet to... Read More about X-ray holographic imaging of magnetic surface spirals in FeGe lamellae.

Laplace Transform Fitting as a Tool To Uncover Distributions of Reverse Intersystem Crossing Rates in TADF Systems (2022)
Journal Article
Kelly, D., Gomes Franca, L., Stavrou, K., Danos, A., & Monkman, A. P. (2022). Laplace Transform Fitting as a Tool To Uncover Distributions of Reverse Intersystem Crossing Rates in TADF Systems. Journal of Physical Chemistry Letters, 13(30), 6981-6986. https://doi.org/10.1021/acs.jpclett.2c01864

Donor–acceptor (D–A) thermally activated delayed fluorescence (TADF) molecules are exquisitely sensitive to D–A dihedral angle. Although commonly simplified to an average value, these D–A angles nonetheless exist as distributions across the individua... Read More about Laplace Transform Fitting as a Tool To Uncover Distributions of Reverse Intersystem Crossing Rates in TADF Systems.

Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions (2022)
Journal Article
Hurtado-Gallego, J., Davidson, R., Grace, I. M., Rincón-García, L., Batsanov, A. S., Bryce, M. R., …Agraït, N. (2022). Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions. Molecular Systems Design & Engineering, 7(10), 1287-1293. https://doi.org/10.1039/d2me00074a

We report a combined experimental and computational study of seven cross-conjugated enediyne derivatives functionalised with a pendant group (diphenyl, 9-fluorenyl, 9-thioxanthene or cyclohexyl) at the central alkene site, and with thiomethyl (SMe) o... Read More about Quantum interference dependence on molecular configurations for cross-conjugated systems in single-molecule junctions.

Novel D–A chromophores with condensed 1,2,4-triazine system simultaneously display thermally activated delayed fluorescence and crystallization-induced phosphorescence (2022)
Journal Article
Maggiore, A., Tan, X., Brosseau, A., Danos, A., Miomandre, F., Monkman, A. P., …Clavier, G. (2022). Novel D–A chromophores with condensed 1,2,4-triazine system simultaneously display thermally activated delayed fluorescence and crystallization-induced phosphorescence. Physical Chemistry Chemical Physics, 24(29), 17770-17781. https://doi.org/10.1039/d2cp00777k

Control of photophysical properties is crucial for the continued development of electroluminescent devices and luminescent materials. Preparation and study of original molecules uncovers design rules towards efficient materials and devices. Here we h... Read More about Novel D–A chromophores with condensed 1,2,4-triazine system simultaneously display thermally activated delayed fluorescence and crystallization-induced phosphorescence.

Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films (2022)
Journal Article
Gomes Franca, L., dos Santos, P. L., Pander, P., Cabral, M. G., Cristiano, R., Cazati, T., …Eccher, J. (2022). Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films. ACS Applied Electronic Materials, 4(7), https://doi.org/10.1021/acsaelm.2c00432

Delayed fluorescence (DF) by triplet–triplet annihilation (TTA) is observed in solutions of a benzoperylene-imidoester mesogen that shows a hexagonal columnar mesophase at room temperature in the neat state. A similar benzoperylene-imide with a sligh... Read More about Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films.

Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire (2022)
Journal Article
Birch, M., Cortés-Ortuño, D., Litzius, K., Wintz, S., Schulz, F., Weigand, M., …Schütz, G. (2022). Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire. Nature Communications, 13(1), Article 3630. https://doi.org/10.1038/s41467-022-31335-y

Research into practical applications of magnetic skyrmions, nanoscale solitons with interesting topological and transport properties, has traditionally focused on two dimensional (2D) thin-film systems. However, the recent observation of novel three... Read More about Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire.

Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors (2022)
Journal Article
Mullins, A. L., Ćirić, A., Zekovic, I., Williams, J. G., Dramicanin, M., & Evans, I. R. (2022). Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(28), 10396-10403. https://doi.org/10.1039/d2tc02011d

A series of La1-xGa0.99O3: Cr0.01, Ndx phosphors (where x = 0.005, 0.01, 0.02) for luminescence thermometry have been synthesised by a solid-state method, structurally characterised using powder X-ray diffraction data, and investigated by ambient and... Read More about Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors.

Prediction and Preparation of Coamorphous Phases of a Bislactam (2022)
Journal Article
Chambers, L. I., Musa, O. M., & Steed, J. W. (2022). Prediction and Preparation of Coamorphous Phases of a Bislactam. Molecular Pharmaceutics, 19(7), 2651-2661. https://doi.org/10.1021/acs.molpharmaceut.2c00357

The effectiveness of a partial least squares-discriminant analysis coamorphous prediction model was tested using coamorphous screening data for a promising coamorphous former, the dimer of N-vinyl(caprolactam) (bisVCap) with a range of active pharmac... Read More about Prediction and Preparation of Coamorphous Phases of a Bislactam.

Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity (2022)
Journal Article
Fuller, C. A., Gutmann, M. J., Ling, C. D., Wang, C., Zhang, W., Halasyamani, P. S., …Evans, J. S. (2022). Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity. Journal of Materials Chemistry A: materials for energy and sustainability, 10(27), https://doi.org/10.1039/d2ta02328h

The structure and composition of La-silicate apatite oxide ion conductor, La10Si6O27, in which the types of defects it contains are controversial, has been thoroughly investigated. Large crystals were grown using the floating zone method, and their s... Read More about Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity.

Emission and Absorption Tuning in TADF B,N‐Doped Heptacenes: Toward Ideal‐Blue Hyperfluorescent OLEDs (2022)
Journal Article
Stavrou, K., Madayanad Suresh, S., Hall, D., Danos, A., Kukhta, N. A., Slawin, A. M., …Zysman‐Colman, E. (2022). Emission and Absorption Tuning in TADF B,N‐Doped Heptacenes: Toward Ideal‐Blue Hyperfluorescent OLEDs. Advanced Optical Materials, 10(17), Article 2200688. https://doi.org/10.1002/adom.202200688

Developing high-efficiency purely organic blue organic light-emitting diodes (OLEDs) that meet the stringent industry standards is a major current research challenge. Hyperfluorescent device approaches achieve in large measure the desired high perfor... Read More about Emission and Absorption Tuning in TADF B,N‐Doped Heptacenes: Toward Ideal‐Blue Hyperfluorescent OLEDs.

Possible realization of the Majumdar-Ghosh point in the mineral szenicsite (2022)
Journal Article
Berlie, A., & Terry, I. (2022). Possible realization of the Majumdar-Ghosh point in the mineral szenicsite. Physical Review B, 105(22), Article L220404. https://doi.org/10.1103/physrevb.105.l220404

The Majumder-Ghosh (MG) point is a point in parameter space for a one-dimensional (1D) frustrated system where α = J 1 / J 2 = 0.5 and the ground state is shown to be a superposition of singlet states. This leads to no magnetic order, instead the gro... Read More about Possible realization of the Majumdar-Ghosh point in the mineral szenicsite.

From Phosphorescence to Delayed Fluorescence in One Step: Tuning Photophysical Properties by Quaternisation of an sp2-Hybridised Nitrogen Atom (2022)
Journal Article
Klimash, A., Prlj, A., Yufit, D., Mallick, A., Curchod, B., McGonigal, P., …Etherington, M. (2022). From Phosphorescence to Delayed Fluorescence in One Step: Tuning Photophysical Properties by Quaternisation of an sp2-Hybridised Nitrogen Atom. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(25), 9484-9491. https://doi.org/10.1039/d2tc01737g

Control of the delayed emission of organic compounds is an important factor in the development of new display technology and for the emerging use of organic emitters in sensing and fluorescence microscopy. In particular, there is a need to understand... Read More about From Phosphorescence to Delayed Fluorescence in One Step: Tuning Photophysical Properties by Quaternisation of an sp2-Hybridised Nitrogen Atom.

Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO (2022)
Journal Article
Kaminski, J. M., Rodríguez-Serrano, A., Dinkelbach, F., Miranda-Salinas, H., Monkman, A. P., & Marian, C. M. (2022). Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO. Chemical Science, 13(23), https://doi.org/10.1039/d1sc07101g

Quantum chemical studies employing combined density functional and multireference configuration interaction methods suggest five excited electronic states to be involved in the prompt and delayed fluorescence emission of TpAT-tFFO. Three of them, a p... Read More about Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO.

A review of current construction guidelines to inform the design of rammed earth houses in seismically active zones (2022)
Journal Article
Thompson, D., Augarde, C., & Osorioa, J. P. (2022). A review of current construction guidelines to inform the design of rammed earth houses in seismically active zones. Journal of Building Engineering, 54, Article 104666. https://doi.org/10.1016/j.jobe.2022.104666

Sustainability in the materials we use for construction is a prime concern, focusing on reducing the embodied energy and carbon footprints of the materials used. The cement used in concrete products is responsible for a significant proportion of Man'... Read More about A review of current construction guidelines to inform the design of rammed earth houses in seismically active zones.