911���պ���

Search or filter publications

Search publications Search

Filter by type:

Filter by publication type

• Book
• Book chapter
• Conference paper
• Journal article
• Other
• Patent
• Poster
• Report
• Scholarly edition
• Software
• Thesis dissertation
• Working paper

Filter by year:

Filter from 20262025202420232022202120202019201820172016201520142013201220112010200920082007200620052004200320022001200019991998199719961995199419931992199119901989 to Filter to 20262025202420232022202120202019201820172016201520142013201220112010200920082007200620052004200320022001200019991998199719961995199419931992199119901989

---

Search results

• Journal article
  Gao D, Lu S, Zhang C, Wang N, Yu Z, Sun X, Martin R, Vanin F, Qian L, Long N, Lüer L, Li B, Stolterfoht M, Hou J, Yin J, Lin Y-H, Lu H, Li N, Gasparini N, Brabec CJ, Stranks SD, Zeng XC, Zhu Zet al., 2026,
  , Nature

  The commercialization of perovskite solar cells is bottlenecked by inefficient, trial-and-error approaches reliant on human expertise in both material discovery and device fabrication (1-3). Here, we introduce an autonomous closed-loop framework that integrates machine learning (ML)-driven material discovery with an automated manufacturing platform. The system employs active learning and quantum modeling to rapidly identify high-performance molecules, while the platform uses Bayesian optimization and symbolic regression in a feedback loop to continuously refine the fabrication process. This integrated approach enabled the discovery of a passivation molecule, 5-(aminomethyl)nicotinonitrile hydroiodide (5ANI), which yielded 0.05 cm² solar cells with a power conversion efficiency (PCE) of 27.22% (certified maximum power point tracking (MPPT) efficiency of 27.18%) and 21.4 cm² mini-modules with a PCE of 23.49%. Moreover, the devices exhibited long-term operational stability, retaining 98.7% of their initial efficiency after 1,200 hours of continuous operation under the ISOS-L-1I protocol. Crucially, the automated platform achieved an efficiency reproducibility nearly 5 times that of manual fabrication. This work establishes an automated closed-loop system that synergizes ML-powered discovery with the high-fidelity data from automated manufacturing, setting a benchmark for autonomous discovery and manufacturing in photovoltaics and materials.

  • Abstract
  • Cite
• Journal article
  Vanin F, Webb T, Gao D, Welch K, Tremlett WDJ, Qian L, Zhang C, Brown RK, White AJP, Gasparini N, Bo L, Zhu Z, Haque SA, Long NJet al., 2026,
  , Joule, Vol: 10

  Controlled doping of organic semiconductors is crucial for their application in optoelectronic devices. In perovskite solar cells (PSCs), breakthrough efficiencies have relied on doped Spiro-OMeTAD hole transport materials. However, the ubiquitous adoption of multicomponent lithium-based doping schemes, known for their hygroscopic, volatile, and temperamental nature, remains a major issue for n-i-p PSCs. Therefore, next-generation dopants must be re-engineered from first principles. Here, we report a class of tailored ferrocenium oxidants as high-performance, comprehensive Spiro-OMeTAD dopants. Tuning ferrocenium reduction potentials enables near-quantitative Spiro-OMeTAD^⋅+ conversion, affording optimal electronic and energetic properties. The resulting ferrocenium-doped PSCs outperform conventional counterparts, achieving device and module efficiencies of 26.13% and 22.21%, respectively, with ultra-low dopant loadings. Devices show excellent operational stability, retaining 95% (unheated) and 87% (held at 65°C) of the initial efficiency after 1,000 h of continuous operation. Our results reveal the unrecognized potential of comprehensive doping paradigms in PSCs and beyond.

  • Abstract
  • Cite
• Journal article
  Siakalli C, Osborne BE, Brown RK, Rocco C, Weiss D, García-España EV, Grundler PV, Moiseeva AN, Talip Z, van der Meulen NP, Ma MT, Long NJet al., 2026,
  , Dalton Trans, Vol: 55, Pages: 3413-3421

  Emerging therapeutic radiolanthanides have utility for systemic molecular radiotherapy in nuclear medicine, provided that suitable chemical technology is available to incorporate them into receptor-targeted radiopharmaceuticals. In this work, N,N'-bis(8-hydroxyquinoline-2-ylmethyl)-4,13-diaza-18-crown-6 (H2KHQ) was synthesised, and its binding ability, thermodynamic stability and selectivity for Ln3+ ions (Ln3+ = La, Tb, and Lu) investigated. The design of H2KHQ involves pendant arms featuring 8-hydroxyquinoline units, known to possess metal-chelating properties and desirable activity in other therapeutic molecules. H2KHQ exhibited selectivity for the larger Ln3+ ions, confirmed by experimentally measured stability constants as well as DFT calculations. H2KHQ was able to bind the larger, non-radioactive La3+ and Tb3+ ions within 30 minutes at room temperature, forming a single, 2-fold symmetric species in solution. The structure of [La-HKHQ]2+, as determined by single crystal XRD, emphasized the need for high denticity chelators to satisfy the coordination sphere of the Ln3+, showing a 10-coordinate La3+ metal centre. H2KHQ was radiolabelled with [161Tb]TbCl3 under mild conditions in 92% radiochemical yield in promising proof-of-concept measurements.

  • Abstract
  • Cite
• Journal article
  Fang F, Li A, Geoghegan B, Webb T, Dang Y, Bennett T, Fu K, Azaden A, Vanin F, Sills A, Long N, Haque S, Roessler Met al., 2026,

  Electron hopping in conjugated molecular wires with application to solar cells

  , Nature Chemistry, ISSN: 1755-4330

  Electron transfer through molecular wires underpins numerous research fields, ranging from single molecule electronics to fundamental biological processes and their application in (bio)electrocatalysis. Here, we report a series of 1–3 nm long ferrocene terminated conjugated molecular wires, anchored to indium tin oxide electrodes, that exhibit an electron transfer mechanism dominated by hopping (with a β value of 0.043 Å⁻¹). We show that the nature of the electrode, namely the small energy gap between the electron donor and acceptor, explains the unexpected electron transfer mechanism in these short wires. We demonstrate the applicability of these anchored molecular wires in a tin perovskite solar cell as hole-extraction layer. We show improved performance in devices employing the molecular wire as compared to more conventional hole-extraction layers typically used in tin perovskite solar cells. This work not only opens avenues for mechanistic investigations of interfacial electron transfer using molecular wires, but also showcases their potential impact in applications e.g. in a solar cell.

  • Abstract
  • Cite
• Journal article
  Zhu Y, Cheng Z, Zhang J, Feng L, Mishra A, de Rosales RTM, Brown RK, Long N, Law G-Let al., 2026,
  , JACS Au, Vol: 6, Pages: 113-123

  68Ga-labeled macrocyclic ligands have been extensively studied and used for positron emission tomography (PET) imaging. Compared with 12-membered DOTA derivatives, NOTA-based chelators with 9-membered macrocyclic rings exhibit more advantageous coordination stability for Ga3+ ions. However, studies of the 10-membered DETA macrocycle are still quite limited. Here, we present the synthesis of four different-sized chiral macrocyclic ligands L1-L4, followed by radiolabeling and stability studies to reveal the influence of ring size and chiral substituents on Ga3+ chelation. In the 68Ga radiolabeling experiments, chiral NOTA L1 exhibits the highest radiochemical yield of 99% at 25 °C. While for the chiral DETA L2/L3 and the chiral DOTA L4, their radiolabeling efficiencies are inferior at room temperature, but remarkable improvements were observed at higher temperatures. L1-L4 all exhibit superior Ga3+ coordination stability than their achiral counterparts, while the chiral DETA L2 with an α-methyl group shows a slightly better performance than its β-analogue L3. Serum stability tests and kinetic studies under acid and alkaline conditions were conducted, highlighting the favorable kinetic inertness of these chiral ligands for potential 68Ga-labeled PET imaging applications.

  • Abstract
  • Cite
• Journal article
  Webb T, Vanin F, Gao D, Zhu L, Tremlett WDJ, Azaden A, Rodgers A, Jacoutot P, White AJP, Islam MS, Long NJ, Zhu Z, Haque SAet al., 2025,
  , ENERGY & ENVIRONMENTAL SCIENCE, ISSN: 1754-5692
  • Cite
• Journal article
  Li B, Gao D, Vanin F, Zhang C, Yu Z, Wang N, Gong J, Li S, Gong J, Qian L, Lin Y-H, Stolterfoht M, Long NJ, Zhu Zet al., 2025,
  , NATURE COMMUNICATIONS, Vol: 16
  • Cite
• Journal article
  Alajmi A, Alanazi B, Alresheedi K, Alharbi K, Tremlett WDJ, Long NJ, Lambert C, Ismael Aet al., 2025,
  , NANOSCALE ADVANCES, ISSN: 2516-0230
  • Cite
• Journal article
  Chen H, Lim Kee Chang W, Mcmullon GT, Yu Y, Woolley BP, Geoghegan G, Yalcin C, Morse SV, Lythgoe MF, Choi JJ, Long NJet al., 2025,
  , INORGANIC CHEMISTRY FRONTIERS, ISSN: 2052-1553
  • Cite
• Journal article
  Patel N, Pham TT, Banu A, Griffiths A, Paterson BM, Firth G, Morrell A, McMahon C, Long NJ, Baker JR, Chudasama V, Ma MTet al., 2025,
  , INORGANIC CHEMISTRY FRONTIERS, Vol: 12, ISSN: 2052-1553
  • Cite
• Conference paper
  Boyle J, Chiappo D, Cooper S, Tapeng L, Sinha S, Walter E, Lai T, Long Net al., 2025,

  Aminocoumarin-based heme oxygenase activity fluorescence probe reveals novel aspects of HO-1 regulation

  , 93rd Congress of the European-Atherosclerosis-Society (EAS), Publisher: ELSEVIER IRELAND LTD, ISSN: 0021-9150
  • Cite
• Journal article
  Walter ERH, Lee LC-C, Leung PK-K, Lo KK-W, Long NJet al., 2025,
  , INORGANIC CHEMISTRY FRONTIERS, ISSN: 2052-1553
  • Cite
  • Citations: 1
• Journal article
  Mann P, Bourke S, Urbano L, Morgan DJ, Dailey LA, Centelles M, Thanou M, Long NJ, Green MAet al., 2025,
  , JOURNAL OF MATERIALS CHEMISTRY B, Vol: 13, Pages: 5871-5879, ISSN: 2050-750X
  • Cite
• Journal article
  Yeung Y-H, Lam P-L, Thor W, Kai H-Y, Cheung T-L, Wu Y, Law G-L, Long NJ, Wong K-Let al., 2025,
  , CHEMISTRY-METHODS, Vol: 5, ISSN: 2628-9725
  • Cite
  • Citations: 1
• Journal article
  Vanin F, Tremlett WDJ, Gao D, Liu Q, Li B, Li S, Gong J, Wu X, Li Z, Brown RK, Qian L, Zhang C, Sun X, Li X, Zeng XC, Zhu Z, Long NJet al., 2025,
  , ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol: 64
  • Cite
  • Citations: 4

This data is extracted from the Web of Science and reproduced under a licence from Thomson Reuters. You may not copy or re-distribute this data in whole or in part without the written consent of the Science business of Thomson Reuters.