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Matthew J. Margeson, Mark Atwood, Jaser Lara de Larrea, Joseph A. Weatherby et autres
[This retracts the article DOI: 10.1016/j.isci.2024.111225.].
ca (code pays fourni par la source)
Berthold Reis, Robert Frenzel, Niklas Gerlach, Martin Müller et autres
Near-infrared (NIR) controlled drug delivery systems have drawn a lot of attention throughout the past few decades due to the deep penetration depth and comparatively minor side effects of the stimulus. In this study, we introduce an innovative approach for gastric cancer …
de, ca (code pays fourni par la source)
Matthew J. Margeson, Mark Atwood, Jaser Lara de Larrea, Joseph A. Weatherby et autres
Floating interfacial solar evaporation offers a land-saving, eco-friendly, and low-infrastructure alternative for freshwater production. However, challenges include maximizing heat localization, preventing salt accumulation, and operating under harsh environmental conditions. This work demonstrates a plasmonic titanium carbide (TiC) nanoparticle (NP)-based floating solar desalination …
ca (code pays fourni par la source)
Matthew J. Margeson, Mark Atwood, Jaser Lara de Larrea, Joseph A. Weatherby et autres
Established desalination technologies such as thermal distillation and reverse osmosis require advanced infrastructure and costly installation limiting their widespread implementation. Floating interfacial solar evaporation devices are considered a land-saving, environmentally friendly, and low infrastructure approach for freshwater production. Addressing issues related to …
ca (code pays fourni par la source)
Joseph A. Weatherby, Adrian F. Rumson, Alastair J. A. Price, Alberto Otero‐de‐la‐Roza et autres
Many crystal structure prediction protocols only concern themselves with the electronic energy of molecular crystals. However, vibrational contributions to the free energy (Fvib) can be significant in determining accurate stability rankings for crystal candidates. While force-field studies have been conducted to gauge …
ca, es (code pays fourni par la source)
J.A.R. Schmidt, Joseph A. Weatherby, Isaac J. Sugden, Alejandro Santana‐Bonilla et autres
Molecular materials are challenging to design as their packing arrangement and hence properties are subject to subtle variations in the interplay of soft intermolecular interactions that are difficult to predict. The rational design of new molecular materials with tailored properties is currently …
gb, ca (code pays fourni par la source)
J.A.R. Schmidt, Joseph A. Weatherby, Isaac J. Sugden, Alejandro Santana‐Bonilla et autres
Molecular materials are challenging to design as their packing arrangement and hence properties are subject to subtle variations in the interplay of soft intermolecular interactions that are difficult to predict. The rational design of new molecular materials with tailored properties is currently …
gb, ca (code pays fourni par la source)
Mary Anne White, Samer Kahwaji, Vera L.S. Freitas, Riko Siewert et autres
Abstract Recent density‐functional theory (DFT) calculations raised the possibility that diamond could be degenerate with graphite at very low temperatures. Through high‐accuracy calorimetric experiments closing gaps in available data, we reinvestigate the relative thermodynamic stability of diamond and graphite. For T<400 K, …
ca, pt, ru, de (code pays fourni par la source)
Mary Anne White, Samer Kahwaji, Vera L.S. Freitas, Riko Siewert et autres
Abstract Recent density‐functional theory (DFT) calculations raised the possibility that diamond could be degenerate with graphite at very low temperatures. Through high‐accuracy calorimetric experiments closing gaps in available data, we reinvestigate the relative thermodynamic stability of diamond and graphite. For T<400 K, …
ca, pt, ru, de (code pays fourni par la source)
Julia Schmidt, Joseph A. Weatherby, Isaac J. Sugden, Alejandro Santana‐Bonilla et autres
Molecular materials are challenging to design as their packing arrangement and hence properties are subject to subtle variations in the interplay of soft intermolecular interactions that are difficult to predict. The rational design of new molecular materials with tailored properties is currently …
gb, ca (code pays fourni par la source)
J.A.R. Schmidt, Joseph A. Weatherby, Isaac J. Sugden, Alejandro Santana‐Bonilla et autres
Molecular materials are challenging to design as their packing arrangement and hence properties are subject to subtle variations in the interplay of soft intermolecular interactions that are difficult to predict. The rational design of new molecular materials with tailored properties is currently …
gb, ca (code pays fourni par la source)
Luc M. LeBlanc, Joseph A. Weatherby, Alberto Otero‐de‐la‐Roza, Erin R. Johnson
We present the first implementation of the exchange-hole dipole moment (XDM) model in combination with a numerical finite-support local orbital method (the SIESTA method) for the modeling of non-covalent interactions in periodic solids. The XDM model is parametrized for both the B86bPBE …
ca, es (code pays fourni par la source)
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