Themed collection Celebrating the 200th Anniversary of the University of Manchester
Mechanical reinforcement from two-dimensional nanofillers: model, bulk and hybrid polymer nanocomposites
This review explores recent advances in the mechanical reinforcement of polymer nanocomposites using 2D nanofillers, focusing on the mechanisms of reinforcement, evaluation of model and bulk nanocomposites, and the effects of hybrid filler combinations.
Nanoscale, 2024, Advance Article
https://doi.org/10.1039/D4NR01356E
f-Element heavy pnictogen chemistry
In this review, the molecular chemistry of the f-elements with heavy pnictogen ligands from phosphorus to bismuth is described.
Chem. Sci., 2024,15, 13-45
https://doi.org/10.1039/D3SC05056D
Aminoarylation of alkynes using diarylanilines
Intermolecular aminoarylation of alkynes is described, via addition of diarylanilines to alkynes and Smiles–Truce rearrangement.
Chem. Commun., 2024,60, 6296-6299
https://doi.org/10.1039/D4CC01935K
Quantifying the influence of 3d–4s mixing on linearly coordinated metal-ions by L2,3-edge XAS and XMCD
X-ray absorption spectroscopy and dichroism are applied to probe the effect of 3d–4s mixing on electronic structure and magnetism for linearly coordinated Mn, Fe, Co, Ni and Cu.
Chem. Sci., 2024,15, 2433-2442
https://doi.org/10.1039/D3SC06308A
13Ccarbene nuclear magnetic resonance chemical shift analysis confirms CeIVC double bonding in cerium(IV)–diphosphonioalkylidene complexes
A combined solid-state NMR and DFT computational shielding study confirms the presence of CeC double bonds in cerium–diphosphonioalkylidene complexes.
Chem. Sci., 2024,15, 238-249
https://doi.org/10.1039/D3SC04449A
Efficiency droop in zincblende InGaN/GaN quantum wells
Cubic zincblende InGaN/GaN quantum wells are free of the electric fields that reduce recombination efficiency in hexagonal wurtzite wells.
Nanoscale, 2024, Advance Article
https://doi.org/10.1039/D4NR00812J
Machine learning-aided engineering of a cytochrome P450 for optimal bioconversion of lignin fragments
Using molecular dynamics, machine learning, and density functional theory calculations we make predictions on engineered cytochrome P450 structures and their product distributions.
Phys. Chem. Chem. Phys., 2024,26, 17577-17587
https://doi.org/10.1039/D4CP01282H
Investigating the reliability and interpretability of machine learning frameworks for chemical retrosynthesis
EvalRetro: Unifying the evaluation of machine learning frameworks to enhance understanding and transparency for retrosynthesis.
Digital Discovery, 2024,3, 1194-1212
https://doi.org/10.1039/D4DD00007B
Possibilities and limitations of convolutional neural network machine learning architectures in the characterisation of achiral orthogonal smectic liquid crystals
An investigation of the phase sequence isotropic-fluid smectic-hexatic smectic-soft crystal–crystalline reveals the potential and limitations of convolutional neural networks applied to the classification of achiral orthogonal liquid crystal phases.
Soft Matter, 2024,20, 4226-4236
https://doi.org/10.1039/D4SM00295D
The effects of selectively blocking the electron transport layer of n-i-p perovskite solar cells with polymer particles on device performance
We use insulating polystyrene colloid particles to selectively cover the electron transport layer of n-i-p perovskite solar cells and investigate the effects of the coverage and lateral blocking distance on device performance.
RSC Appl. Interfaces, 2024,1, 591-599
https://doi.org/10.1039/D4LF00062E
Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe13 Keggin cluster
The interactions of the early actinides with molecular Fe13 Keggin species of relevance to Sellafield's Enhanced Actinide Removal Plant are investigated computationally using scalar and spin–orbit relativistic hybrid density functional theory.
Dalton Trans., 2024,53, 5947-5956
https://doi.org/10.1039/D3DT03761D
A combined experimental and modelling approach for the evaluation of the thermoelectric properties of Ag-doped SnS
We report for the first time a combined computational and experimental study of the impact of Ag doping on the thermoelectric properties of SnS and introduce a fitting procedure to determine parameters that cannot easily be determined experimentally.
J. Mater. Chem. C, 2024,12, 508-520
https://doi.org/10.1039/D3TC03672C
About this collection
Tracing its history back to the Royal School of Medicine and Surgery and the Manchester Mechanics’ Institution, both formed in 1824, the University of Manchester will be celebrating its 200th anniversary in 2024.
To mark this important occasion, we've brought together a celebratory cross-RSC collection highlighting cutting-edge research from faculty at the University of Manchester.
We hope you enjoy reading these articles and will join us in celebrating this special occasion!