Planar aromatic anchors control the electrical conductance of gold|molecule|graphene junctions (2023)
Journal Article
O’Driscoll, L. J., Jay, M., Robinson, B. J., Sadeghi, H., Wang, X., Penhale-Jones, B., …Lambert, C. J. (2023). Planar aromatic anchors control the electrical conductance of gold|molecule|graphene junctions. Nanoscale Advances, 5(8), 2299-2306. https://doi.org/10.1039/d2na00873d

The synthesis of a family of alkanethiol molecules with planar aromatic head groups, designed to anchor molecules effectively to graphene electrodes, is reported. Characterisation of self-assembled monolayers of these molecules on a gold surface via... Read More about Planar aromatic anchors control the electrical conductance of gold|molecule|graphene junctions.

Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy (2023)
Journal Article
Wang, Z., Li, L., Wang, W., Wang, R., Li, G., Bian, H., …Bryce, M. R. (2023). Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy. Dalton Transactions, 52(6), 1595-1601. https://doi.org/10.1039/d2dt03809a

Cyclometalated Ir(III) complexes as photosensitizers (PSs) have attracted widespread attention because of their good photostability and efficient 1O2 production ability. However, their strong absorption in the UV-vis region severely limits their appl... Read More about Self-assembled nanoparticles based on cationic mono-/AIE tetra-nuclear Ir(III) complexes: long wavelength absorption/near-infrared emission photosensitizers for photodynamic therapy.

Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation (2022)
Journal Article
L. dos Santos, P., de Sa Pereira, D., Eng, J., Ward, J. S., Bryce, M. R., Penfold, T. J., & Monkman, A. P. (2023). Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation. ChemPhotoChem, 7(2), Article e202200248. https://doi.org/10.1002/cptc.202200248

Here two D–A3 regioisomers, comprising three dibenzothiophene-S,S-dioxide acceptor units attached to a central triazatruxene core, are studied. Both molecules show thermally activated delayed fluorescence (TADF), however, the efficiency of the TADF m... Read More about Fine‐Tuning the Photophysics of Donor‐Acceptor (D‐A 3 ) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation.

AIE-active Ir(iii) complexes functionalised with a cationic Schiff base ligand: synthesis, photophysical properties and applications in photodynamic therapy (2022)
Journal Article
Liu, S., Han, J., Wang, W., Chang, Y., Wang, R., Wang, Z., …Bryce, M. R. (2022). AIE-active Ir(iii) complexes functionalised with a cationic Schiff base ligand: synthesis, photophysical properties and applications in photodynamic therapy. Dalton Transactions, 51(42), 16119-16125. https://doi.org/10.1039/d2dt02960j

Photodynamic therapy (PDT) is a promising cancer treatment method. Traditional small-molecule photosensitizers (PSs) suffer from low intersystem crossing (ISC) ability and aggregation-caused quenching (ACQ), which adversely affects the luminous effic... Read More about AIE-active Ir(iii) complexes functionalised with a cationic Schiff base ligand: synthesis, photophysical properties and applications in photodynamic therapy.

Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt? (2022)
Journal Article
Hempe, M., Kukhta, N. A., Danos, A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2022). Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt?. Journal of Physical Chemistry Letters, 13(35), 8221-8227. https://doi.org/10.1021/acs.jpclett.2c00907

Intramolecular hydrogen bonding between donor and acceptor segments in thermally activated delayed fluorescence (TADF) materials is now frequently employed to─purportedly─rigidify the structure and improve the emission performance of these materials.... Read More about Intramolecular Hydrogen Bonding in Thermally Activated Delayed Fluorescence Emitters: Is There Evidence Beyond Reasonable Doubt?.

AIE-active iridium(iii) complex integrated with upconversion nanoparticles for NIR-irradiated photodynamic therapy (2022)
Journal Article
Liu, S., Han, J., Chang, Y., Wang, W., Wang, R., Wang, Z., …Bryce, M. R. (2022). AIE-active iridium(iii) complex integrated with upconversion nanoparticles for NIR-irradiated photodynamic therapy. Chemical Communications, 58(72), 10056 - 10059. https://doi.org/10.1039/d2cc03622c

The integration of an aggregation induced emission (AIE)-active Ir(III) complex and upconversion nanoparticles (UCNPs) has achieved a NIR-irradiated photosensitizer (PS), UCNPs@Ir-2-N. This PS has satisfactory biocompatibility, excellent phototoxicit... Read More about AIE-active iridium(iii) complex integrated with upconversion nanoparticles for NIR-irradiated photodynamic therapy.

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.

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.

Thermoelectric properties of organic thin films enhanced by π–π stacking (2022)
Journal Article
Wang, X., Sangtarash, S., Lamantia, A., Dekkiche, H., Forcieri, L., Kolosov, O. V., …Robinson, B. J. (2022). Thermoelectric properties of organic thin films enhanced by π–π stacking. JPhys Energy, 4(2), https://doi.org/10.1088/2515-7655/ac55a3

Thin films comprising synthetically robust, scalable molecules have been shown to have major potential for thermoelectric energy harvesting. Previous studies of molecular thin-films have tended to focus on massively parallel arrays of discrete but id... Read More about Thermoelectric properties of organic thin films enhanced by π–π stacking.

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., …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.

Thermoelectric Enhancement in Single Organic Radical Molecules (2022)
Journal Article
Hurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., …Sadeghi, H. (2022). Thermoelectric Enhancement in Single Organic Radical Molecules. Nano Letters, 22(3), https://doi.org/10.1021/acs.nanolett.1c03698

Organic thermoelectric materials have potential for wearable heating, cooling, and energy generation devices at room temperature. For this to be technologically viable, high-conductance (G) and high-Seebeck-coefficient (S) materials are needed. For m... Read More about Thermoelectric Enhancement in Single Organic Radical Molecules.

Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes (2022)
Journal Article
Li, C., Harrison, A. K., Liu, Y., Zhao, Z., Zeng, C., Dias, F. B., …Bryce, M. R. (2022). Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes. Angewandte Chemie International Edition, 61(19), Article e202115140. https://doi.org/10.1002/anie.202115140

Two asymmetric “half-dendronized” and “half-dendronized-half-encapsulated” TADF emitters eliminate degenerate excited states, assuring a solely thermal equilibrium route for an effective spin-flip process. AEE properties can minimize the exciton quen... Read More about Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes.

Supramolecular oligourethane gels as light-harvesting antennae: achieving multicolour luminescence and white-light emission through FRET (2021)
Journal Article
Jiang, N., Wang, R., You, X., Geng, Y., Zhu, D., Zhang, N., & Bryce, M. R. (2021). Supramolecular oligourethane gels as light-harvesting antennae: achieving multicolour luminescence and white-light emission through FRET. Journal of Materials Chemistry C Materials for optical and electronic devices, 9(38), https://doi.org/10.1039/d1tc03105h

Soft luminescent gel materials have many practical applications due to their excellent solution processability, thixotropic, soft and facile coating performance. Here we have prepared a series of oligourethane (OU)-based gelators with fine-tuned opti... Read More about Supramolecular oligourethane gels as light-harvesting antennae: achieving multicolour luminescence and white-light emission through FRET.

Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design (2021)
Journal Article
O’Driscoll, L. J., Sangtarash, S., Xu, W., Daaoub, A., Hong, W., Sadeghi, H., & Bryce, M. R. (2021). Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design. Journal of Physical Chemistry C, 125(31), 17385-17391. https://doi.org/10.1021/acs.jpcc.1c04242

Controlling charge transport through molecular wires by utilizing quantum interference (QI) is a growing topic in single-molecular electronics. In this article, scanning tunneling microscopy-break junction techniques and density functional theory cal... Read More about Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design.

Allocation of Ambipolar Charges on an Organic Diradical with a Vinylene–Phenylenediyne Bridge (2021)
Journal Article
Mayorga-Burrezo, P., Bejarano, F., Calbo, J., Zhao, X., De Sousa, J. A., Lloveras, V., …Crivillers, N. (2021). Allocation of Ambipolar Charges on an Organic Diradical with a Vinylene–Phenylenediyne Bridge. Journal of Physical Chemistry Letters, 12(26), 6159-6164. https://doi.org/10.1021/acs.jpclett.1c01565

Two redox and magnetically active perchlorotriphenylmethyl (•PTM) radical units have been connected as end-capping groups to a bis(phenylene)diyne chain through vinylene linkers. Negative and positive charged species have been generated, and the infl... Read More about Allocation of Ambipolar Charges on an Organic Diradical with a Vinylene–Phenylenediyne Bridge.

A review of oligo(arylene ethynylene) derivatives in molecular junctions (2021)
Journal Article
O'Driscoll, L. J., & Bryce, M. R. (2021). A review of oligo(arylene ethynylene) derivatives in molecular junctions. Nanoscale, 13(24), 10668-10711. https://doi.org/10.1039/d1nr02023d

Oligo(arylene ethynylene) (OAE) derivatives are the “workhorse” molecules of molecular electronics. Their ease of synthesis and flexibility of functionalisation mean that a diverse array of OAE molecular wires have been designed, synthesised and stud... Read More about A review of oligo(arylene ethynylene) derivatives in molecular junctions.

A review of functional linear carbon chains (oligoynes, polyynes, cumulenes) and their applications as molecular wires in molecular electronics and optoelectronics (2021)
Journal Article
Bryce, M. R. (2021). A review of functional linear carbon chains (oligoynes, polyynes, cumulenes) and their applications as molecular wires in molecular electronics and optoelectronics. Journal of Materials Chemistry C Materials for optical and electronic devices, 9(33), 10524-10546. https://doi.org/10.1039/d1tc01406d

Linear, sp-hybridised, 1-dimensional (1D) all-carbon wires are conceptually the simplest p-conjugated organic molecules. Their fundamental experimental and theoretical properties and their materials chemistry applications are under-developed compared... Read More about A review of functional linear carbon chains (oligoynes, polyynes, cumulenes) and their applications as molecular wires in molecular electronics and optoelectronics.

Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials (2021)
Journal Article
Hempe, M., Kukhta, N. A., Danos, A., Fox, M. A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2021). Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials. Chemistry of Materials, 33(9), 3066-3080. https://doi.org/10.1021/acs.chemmater.0c03783

We investigate a series of D–A molecules consisting of spiro[acridan-9,9′-fluorene] as the donor and 2-phenylenepyrimidine as the acceptor. In two of the materials, a spiro center effectively electronically isolates the D unit from (consequently) opt... Read More about Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials.

Rational design of iridium–porphyrin conjugates for novel synergistic photodynamic and photothermal therapy anticancer agents (2021)
Journal Article
Zhang, L., Geng, Y., Li, L., Tong, X., Liu, S., Liu, X., …Bryce, M. R. (2021). Rational design of iridium–porphyrin conjugates for novel synergistic photodynamic and photothermal therapy anticancer agents. Chemical Science, 12(16), 5918-5925. https://doi.org/10.1039/d1sc00126d

Near-infrared (NIR) emitters are important probes for biomedical applications. Nanoparticles (NPs) incorporating mono- and tetranuclear iridium(III) complexes attached to a porphyrin core have been synthesized. They possess deep-red absorbance, long-... Read More about Rational design of iridium–porphyrin conjugates for novel synergistic photodynamic and photothermal therapy anticancer agents.

Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials (2021)
Journal Article
Wright, I. A., Danos, A., Montanaro, S., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2021). Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials. Chemistry - A European Journal, 27(21), 6545-6556. https://doi.org/10.1002/chem.202100036

A series of four heterocyclic dimers has been synthesized, with twisted geometries imposed across the central linking bond by ortho‐alkoxy chains. These include two isomeric bicarbazoles, a bis(dibenzothiophene‐S,S‐dioxide) and a bis(thioxanthene‐S,S... Read More about Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials.