Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons (2022)
Journal Article
Edkins, R. M., Hsu, Y., Fox, M. A., Yufit, D., Beeby, A., & Davidson, R. J. (2022). Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons. Organometallics, 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.

Synthesis and Coordination Chemistry of a Benzannulated Bipyridine: 6,6′-Biphenanthridine (2022)
Journal Article
Nemez, D. B., Lozada, I. B., Braun, J. D., Williams, J. G., & Herbert, D. E. (2022). Synthesis and Coordination Chemistry of a Benzannulated Bipyridine: 6,6′-Biphenanthridine. Inorganic Chemistry, 61(34), 13386-13398. https://doi.org/10.1021/acs.inorgchem.2c01514

The synthesis, characterization, and coordination chemistry of a doubly π-extended bipyridine analogue, 6,6′-biphenanthridine (biphe), is presented. The structure of the molecule has been determined in the solid state by X-ray diffraction, showing an... Read More about Synthesis and Coordination Chemistry of a Benzannulated Bipyridine: 6,6′-Biphenanthridine.

In-Materio Extreme Learning Machines (2022)
Book Chapter
Jones, B. A., Al Moubayed, N., Zeze, D. A., & Groves, C. (2022). In-Materio Extreme Learning Machines. In G. Rudolph, A. V. Kononova, H. Aguirre, P. Kerschke, G. Ochoa, & T. Tušar (Eds.), Parallel Problem Solving from Nature – PPSN XVII (505-519). Springer Verlag. https://doi.org/10.1007/978-3-031-14714-2_35

Nanomaterial networks have been presented as a building block for unconventional in-Materio processors. Evolution in-Materio (EiM) has previously presented a way to congure and exploit physical materials for computation, but their ability to scale as... Read More about In-Materio Extreme Learning Machines.

Towards Intelligently Designed Evolvable Processors (2022)
Journal Article
Jones, B. A., Chouard, J. L., Branco, B. C., Vissol-Gaudin, E. G., Pearson, C., Petty, M. C., …Groves, C. (2022). Towards Intelligently Designed Evolvable Processors. Evolutionary Computation, 30(4), 479-501. https://doi.org/10.1162/evco_a_00309

Evolution-in-Materio is a computational paradigm in which an algorithm reconfigures a material’s properties to achieve a specific computational function. This paper addresses the question of how successful and well performing Evolution-in-Materio pro... Read More about Towards Intelligently Designed Evolvable Processors.

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.

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.

Air-Gapped Current Transformer simulation and accuracy assessment (2022)
Conference Proceeding
Ceron-Oliver, L., Wang, Q., & Zeze, D. (2022). Air-Gapped Current Transformer simulation and accuracy assessment. . https://doi.org/10.1109/melecon53508.2022.9843105

The implementation of smart grids makes it necessary to have reliable and efficient measuring devices. Current sensors used for metering purposes in the grid must be accurate enough to overcome new challenges that power networks face such as injectio... Read More about Air-Gapped Current Transformer simulation and accuracy assessment.

Electrostatic Fermi level tuning in large-scale self-assembled monolayers of oligo(phenylene–ethynylene) derivatives (2022)
Journal Article
Wang, X., Ismael, A., Ning, S., Althobaiti, H., Al-Jobory, A., Girovsky, J., …Ford, C. J. (2022). Electrostatic Fermi level tuning in large-scale self-assembled monolayers of oligo(phenylene–ethynylene) derivatives. Nanoscale Horizons, 7(10), 1201-1209. https://doi.org/10.1039/d2nh00241h

Understanding and controlling the orbital alignment of molecules placed between electrodes is essential in the design of practically-applicable molecular and nanoscale electronic devices. The orbital alignment is highly determined by the molecule–ele... Read More about Electrostatic Fermi level tuning in large-scale self-assembled monolayers of oligo(phenylene–ethynylene) derivatives.

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.

Synthesis, Mesomorphism, Photophysics, and Device Properties of Liquid-Crystalline Pincer Complexes of Gold(III) Containing Semiperfluorinated Chains (2022)
Journal Article
Parker, R. R., Stracey, R. F., McEllin, A. J., Chen, X., Wang, Y., Williams, J. G., …Bruce, D. W. (2022). Synthesis, Mesomorphism, Photophysics, and Device Properties of Liquid-Crystalline Pincer Complexes of Gold(III) Containing Semiperfluorinated Chains. ACS Omega, 7(28), 24903-24917. https://doi.org/10.1021/acsomega.2c03669

Gold(III) complexes of C∧N∧C-coordinating 2,6-diphenylpyridine pincer ligands with arylacetylide co-ligands are known triplet emitters at room temperature. We have reported previously that by functionalizing both the pincer ligand and the phenylacety... Read More about Synthesis, Mesomorphism, Photophysics, and Device Properties of Liquid-Crystalline Pincer Complexes of Gold(III) Containing Semiperfluorinated Chains.

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.

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.

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.

Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface? (2022)
Journal Article
Szablewski, M., Thompson, R. L., & Pålsson, L. (2022). Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?. Molecules, 27(12), Article 3893. https://doi.org/10.3390/molecules27123893

Novel fluorescent Langmuir-Blodgett (LB) films have been constructed from three different amphiphilic dicynaoquinodimethanes (DADQs). The DADQs varied in functional group structure, which had an impact on the LB film structure and the fluorescence pr... Read More about Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?.

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.

Quantum theory of magnon excitation by high energy electron beams (2022)
Journal Article
Mendis, B. (2022). Quantum theory of magnon excitation by high energy electron beams. Ultramicroscopy, 239, Article 113548. https://doi.org/10.1016/j.ultramic.2022.113548

The role of magnon inelastic scattering in high energy electron diffraction of spin unpolarised electron beams, including vortex beams, is investigated theoretically for a Heisenberg ferromagnet. The interaction is between the atomic magnetic dipoles... Read More about Quantum theory of magnon excitation by high energy electron beams.

Single event burnout sensitivity of SiC and Si (2022)
Journal Article
Littlefair, M. T. M., Simdyankin, S., Turvey, S., Groves, C., & Horsfall, A. B. (2022). Single event burnout sensitivity of SiC and Si. Semiconductor Science and Technology, 37(6), Article 065013. https://doi.org/10.1088/1361-6641/ac668c

Exposure to ionizing radiation has the potential to catastrophically modify the operation, and destroy, electronic components in microseconds. The electrification of aircraft necessitates the need to use the most power dense and lowest loss semicondu... Read More about Single event burnout sensitivity of SiC and Si.