Search Results - "Jelfs, Kim E"

Unlocking the computational design of metal-organic cages by Tarzia, Andrew, Jelfs, Kim E

“…Metal-organic cages are macrocyclic structures that can possess an intrinsic void that can hold molecules for encapsulation, adsorption, sensing, and catalysis…”
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Integrating Computational and Experimental Workflows for Accelerated Organic Materials Discovery by Greenaway, Rebecca L., Jelfs, Kim E.

“…Organic materials find application in a range of areas, including optoelectronics, sensing, encapsulation, molecular separations, and photocatalysis. The…”
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Machine Learning for Organic Cage Property Prediction by Turcani, Lukas, Greenaway, Rebecca L, Jelfs, Kim E

“…We use machine learning to predict shape persistence and cavity size in porous organic cages. The majority of hypothetical organic cages suffer from a lack of…”
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Structurally Diverse Covalent Triazine-Based Framework Materials for Photocatalytic Hydrogen Evolution from Water by Meier, Christian B, Clowes, Rob, Berardo, Enrico, Jelfs, Kim E, Zwijnenburg, Martijn A, Sprick, Reiner Sebastian, Cooper, Andrew I

“…A structurally diverse family of 39 covalent triazine-based framework materials (CTFs) are synthesized by Suzuki–Miyaura polycondensation and tested as…”
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Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage by Tan, Rui, Wang, Anqi, Malpass-Evans, Richard, Williams, Rhodri, Zhao, Evan Wenbo, Liu, Tao, Ye, Chunchun, Zhou, Xiaoqun, Darwich, Barbara Primera, Fan, Zhiyu, Turcani, Lukas, Jackson, Edward, Chen, Linjiang, Chong, Samantha Y., Li, Tao, Jelfs, Kim E., Cooper, Andrew I., Brandon, Nigel P., Grey, Clare P., McKeown, Neil B., Song, Qilei

“…Membranes with fast and selective ion transport are widely used for water purification and devices for energy conversion and storage including fuel cells,…”
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N -Aryl–linked spirocyclic polymers for membrane separations of complex hydrocarbon mixtures by Thompson, Kirstie A., Mathias, Ronita, Kim, Daeok, Kim, Jihoon, Rangnekar, Neel, Johnson, J. R., Hoy, Scott J., Bechis, Irene, Tarzia, Andrew, Jelfs, Kim E., McCool, Benjamin A., Livingston, Andrew G., Lively, Ryan P., Finn, M. G.

“…Separating organics without distillation Hydrocarbon distillation is a widespread and energy-intensive process. Membranes might offer an alternative approach,…”
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Coarse-grained modelling to predict the packing of porous organic cages by Wolpert, Emma H, Jelfs, Kim E

“…How molecules pack has vital ramifications for their applications as functional molecular materials. Small changes in a molecule's functionality can lead to…”
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Streamlining the automated discovery of porous organic cages by Basford, Annabel R, Bennett, Steven K, Xiao, Muye, Turcani, Lukas, Allen, Jasmine, Jelfs, Kim. E, Greenaway, Rebecca L

“…Self-assembly through dynamic covalent chemistry (DCC) can yield a range of multi-component organic assemblies. The reversibility and dynamic nature of DCC has…”
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Porous Organic Cages for Sulfur Hexafluoride Separation by Hasell, Tom, Miklitz, Marcin, Stephenson, Andrew, Little, Marc A, Chong, Samantha Y, Clowes, Rob, Chen, Linjiang, Holden, Daniel, Tribello, Gareth A, Jelfs, Kim E, Cooper, Andrew I

“…A series of porous organic cages is examined for the selective adsorption of sulfur hexafluoride (SF6) over nitrogen. Despite lacking any metal sites, a porous…”
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Porous Organic Cage Nanocrystals by Solution Mixing by Hasell, Tom, Chong, Samantha Y, Jelfs, Kim E, Adams, Dave J, Cooper, Andrew I

“…We present here a simple method for the bottom-up fabrication of microporous organic particles with surface areas in the range 500–1000 m2 g–1. The method…”
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Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymer membranes by Ye, Chunchun, Wang, Anqi, Breakwell, Charlotte, Tan, Rui, Grazia Bezzu, C., Hunter-Sellars, Elwin, Williams, Daryl R., Brandon, Nigel P., Klusener, Peter A. A., Kucernak, Anthony R., Jelfs, Kim E., McKeown, Neil B., Song, Qilei

“…Redox flow batteries using aqueous organic-based electrolytes are promising candidates for developing cost-effective grid-scale energy storage devices…”
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Acid- and Base-Stable Porous Organic Cages: Shape Persistence and pH Stability via Post-synthetic “Tying” of a Flexible Amine Cage by Liu, Ming, Little, Marc A, Jelfs, Kim E, Jones, James T. A, Schmidtmann, Marc, Chong, Samantha Y, Hasell, Tom, Cooper, Andrew I

“…Imine cage molecules can be reduced to amines to improve their chemical stability, but this introduces molecular flexibility. Hence, amine cages tend not to…”
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Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets by Park, Woojin, Yu, Doae, Na, Kyungsu, Jelfs, Kim E, Slater, Ben, Sakamoto, Yasuhiro, Ryoo, Ryong

“…Multi-quaternary ammonium surfactants can assemble co-operatively with silicate anions to generate MFI zeolite nanosheets, where the ammonium acts as a…”
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Switching between Local and Global Aromaticity in a Conjugated Macrocycle for High‐Performance Organic Sodium‐Ion Battery Anodes by Eder, Simon, Yoo, Dong‐Joo, Nogala, Wojciech, Pletzer, Matthias, Santana Bonilla, Alejandro, White, Andrew J. P., Jelfs, Kim E., Heeney, Martin, Choi, Jang Wook, Glöcklhofer, Florian

“…Aromatic organic compounds can be used as electrode materials in rechargeable batteries and are expected to advance the development of both anode and cathode…”
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From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting by Greenaway, Rebecca L., Santolini, Valentina, Pulido, Angeles, Little, Marc A., Alston, Ben M., Briggs, Michael E., Day, Graeme M., Cooper, Andrew I., Jelfs, Kim E.

“…We describe the a priori computational prediction and realization of multi‐component cage pots, starting with molecular predictions based on candidate…”
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Mixed hierarchical local structure in a disordered metal–organic framework by Sapnik, Adam F., Bechis, Irene, Collins, Sean M., Johnstone, Duncan N., Divitini, Giorgio, Smith, Andrew J., Chater, Philip A., Addicoat, Matthew A., Johnson, Timothy, Keen, David A., Jelfs, Kim E., Bennett, Thomas D.

“…Amorphous metal–organic frameworks (MOFs) are an emerging class of materials. However, their structural characterisation represents a significant challenge…”
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Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality by Yang, Ying, Rice, Beth, Shi, Xingyuan, Brandt, Jochen R, Correa da Costa, Rosenildo, Hedley, Gordon J, Smilgies, Detlef-M, Frost, Jarvist M, Samuel, Ifor. D. W, Otero-de-la-Roza, Alberto, Johnson, Erin R, Jelfs, Kim E, Nelson, Jenny, Campbell, Alasdair J, Fuchter, Matthew J

“…Chiral molecules exist as pairs of nonsuperimposable mirror images; a fundamental symmetry property vastly underexplored in organic electronic devices. Here,…”
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Modular and predictable assembly of porous organic molecular crystals by Jones, James T. A., Hasell, Tom, Wu, Xiaofeng, Bacsa, John, Jelfs, Kim E., Schmidtmann, Marc, Chong, Samantha Y., Adams, Dave J., Trewin, Abbie, Schiffman, Florian, Cora, Furio, Slater, Ben, Steiner, Alexander, Day, Graeme M., Cooper, Andrew I.

“…Porous crystals made to order Controlling and predicting the structural properties of porous molecular crystals would have important implications in gas…”
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Multivariate analysis of disorder in metal–organic frameworks by Sapnik, Adam F., Bechis, Irene, Bumstead, Alice M., Johnson, Timothy, Chater, Philip A., Keen, David A., Jelfs, Kim E., Bennett, Thomas D.

“…The rational design of disordered frameworks is an appealing route to target functional materials. However, intentional realisation of such materials relies on…”
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Solution-processable polytriazoles from spirocyclic monomers for membrane-based hydrocarbon separations by Bruno, Nicholas C., Mathias, Ronita, Lee, Young Joo, Zhu, Guanghui, Ahn, Yun-Ho, Rangnekar, Neel D., Johnson, J. R., Hoy, Scott, Bechis, Irene, Tarzia, Andrew, Jelfs, Kim E., McCool, Benjamin A., Lively, Ryan, Finn, M. G.

“…The thermal distillation of crude oil mixtures is an energy-intensive process, accounting for nearly 1% of global energy consumption. Membrane-based…”
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