Publications

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1579 Publications visible to you, out of a total of 1579

Abstract

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Authors: Benedikt Schulz, Mehrez El Ayari, Sebastian Lerch, Sándor Baran

Date Published: 1st May 2021

Publication Type: Journal

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Authors: Sabrina Gronow, Christine E. Collins, Stuart A. Sim, Friedrich K. Röpke

Date Published: 1st May 2021

Publication Type: Journal

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Author: James Farre

Date Published: 19th Apr 2021

Publication Type: Journal

Abstract (Expand)

The ability to detect persistent nitroaromatic contaminants, e.g. DNT and TNT, with high sensitivity and selectivity is central to environmental science and medicinal diagnostics. Graphene-based materials rise to this challenge, offering supreme performance, biocompatibility, and low toxicity at a reasonable cost. In the first step of the electrochemical sensing process, these substrates establish non-covalent interactions with the analytes, which we show to be indicative of their respective detection limits. Employing a combination of semiempirical tight binding quantum chemistry, meta- dynamics, density functional theory, and symmetry-adapted perturbation theory in conjunction with curated data from experimental literature, we investigate the physisorption of DNT and TNT on a series of functionalised graphene derivatives. In agreement with experimental observations, systems with greater planarity and positively charged substrates afford stronger non-covalent interactions than their highly oxidised distorted counterparts. Despite the highly polar nature of the investigated species, their non-covalent interactions are largely driven by dispersion forces. To harness these design principles, we considered a series of boron and nitrogen (co)doped two-dimensional materials. One of these systems featuring a chain of B–N–C units was found to adsorb nitroaromatic molecules stronger than the pristine graphene itself. These findings form the basis for the design principles of sensing materials and illustrate the utility of relatively low cost in silico procedures for testing the viability of designed graphene-based sensors for a plethora of analytes.

Authors: Anna Piras, Ganna Gryn'ova

Date Published: 5th Apr 2021

Publication Type: Unpublished

Abstract

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Authors: Debabrata Dey, Shir Marciano, Ariane Nunes-Alves, Vladimir Kiss, Rebecca C Wade, Gideon Schreiber

Date Published: 1st Apr 2021

Publication Type: Journal

Abstract (Expand)

We report the discovery of a warm sub-Saturn, TOI-257b (HD 19916b), based on data from NASA's Transiting Exoplanet Survey Satellite (TESS). The transit signal was detected by TESS and confirmed to be of planetary origin based on radial velocity observations. An analysis of the TESS photometry, the MINERVA-Australis, FEROS, and HARPS radial velocities, and the asteroseismic data of the stellar oscillations reveals that TOI-257b has a mass of MP = 0.138 ± 0.023 MJ (43.9 ± 7.3 M⊕ ), a radius of RP = 0.639 ± 0.013 RJ (7.16 ± 0.15 R⊕ ), bulk density of 0.65+0.12−0.11 (cgs), and period 18.38818+0.00085−0.00084 days . TOI-257b orbits a bright (V = 7.612 mag) somewhat evolved late F-type star with M* = 1.390 ± 0.046 Msun , R* = 1.888 ± 0.033 Rsun , Teff = 6075 ± 90 K , and vsin i = 11.3 ± 0.5 km s-1. Additionally, we find hints for a second non-transiting sub-Saturn mass planet on a ∼71 day orbit using the radial velocity data. This system joins the ranks of a small number of exoplanet host stars (∼100) that have been characterized with asteroseismology. Warm sub-Saturns are rare in the known sample of exoplanets, and thus the discovery of TOI-257b is important in the context of future work studying the formation and migration history of similar planetary systems.

Authors: Brett C Addison, Duncan J Wright, Belinda A Nicholson, Bryson Cale, Teo Mocnik, Daniel Huber, Peter Plavchan, Robert A Wittenmyer, Andrew Vanderburg, William J Chaplin, Ashley Chontos, Jake T Clark, Jason D Eastman, Carl Ziegler, Rafael Brahm, Bradley D Carter, Mathieu Clerte, Néstor Espinoza, Jonathan Horner, John Bentley, Andrés Jordán, Stephen R Kane, John F Kielkopf, Emilie Laychock, Matthew W Mengel, Jack Okumura, Keivan G Stassun, Timothy R Bedding, Brendan P Bowler, Andrius Burnelis, Sergi Blanco-Cuaresma, Michaela Collins, Ian Crossfield, Allen B Davis, Dag Evensberget, Alexis Heitzmann, Steve B Howell, Nicholas Law, Andrew W Mann, Stephen C Marsden, Rachel A Matson, James H O’Connor, Avi Shporer, Catherine Stevens, C G Tinney, Christopher Tylor, Songhu Wang, Hui Zhang, Thomas Henning, Diana Kossakowski, George Ricker, Paula Sarkis, Martin Schlecker, Pascal Torres, Roland Vanderspek, David W Latham, Sara Seager, Joshua N Winn, Jon M Jenkins, Ismael Mireles, Pam Rowden, Joshua Pepper, Tansu Daylan, Joshua E Schlieder, Karen A Collins, Kevin I Collins, Thiam-Guan Tan, Warrick H Ball, Sarbani Basu, Derek L Buzasi, Tiago L Campante, Enrico Corsaro, L González-Cuesta, Guy R Davies, Leandro de Almeida, Jose-Dias do Nascimento, Rafael A García, Zhao Guo, Rasmus Handberg, Saskia Hekker, Daniel R Hey, Thomas Kallinger, Steven D Kawaler, Cenk Kayhan, James S. Kuszlewicz, Mikkel N Lund, Alexander Lyttle, Savita Mathur, Andrea Miglio, Benoit Mosser, Martin B Nielsen, Aldo M Serenelli, Victor Silva Aguirre, Nathalie Themeßl

Date Published: 1st Apr 2021

Publication Type: Journal

Abstract

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Authors: Timo Dimitriadis, Julie Schnaitmann

Date Published: 1st Apr 2021

Publication Type: Journal

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