Faraday Discussions最新文献

{"title":"Poster list","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"243 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2023-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3727972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The chemical inventory of the inner regions of planet-forming disks – the JWST/MINDS program†","authors":"Inga Kamp, Thomas Henning, Aditya M. Arabhavi, Giulio Bettoni, Valentin Christiaens, Danny Gasman, Sierra L. Grant, Maria Morales-Calderón, Benoît Tabone, Alain Abergel, Olivier Absil, Ioannis Argyriou, David Barrado, Anthony Boccaletti, Jeroen Bouwman, Alessio Caratti o Garatti, Ewine F. van Dishoeck, Vincent Geers, Adrian M. Glauser, Manuel Güdel, Rodrigo Guadarrama, Hyerin Jang, Jayatee Kanwar, Pierre-Olivier Lagage, Fred Lahuis, Michael Mueller, Cyrine Nehmé, Göran Olofsson, Eric Pantin, Nicole Pawellek, Giulia Perotti, Tom P. Ray, Donna Rodgers-Lee, Matthias Samland, Silvia Scheithauer, Jürgen Schreiber, Kamber Schwarz, Milou Temmink, Bart Vandenbussche, Marissa Vlasblom, Christoffel Waelkens, L. B. F. M. Waters and Gillian Wright","doi":"10.1039/D3FD00013C","DOIUrl":"https://doi.org/10.1039/D3FD00013C","url":null,"abstract":"<p >The understanding of planet formation has changed recently, embracing the new idea of pebble accretion. This means that the influx of pebbles from the outer regions of planet-forming disks to their inner zones could determine the composition of planets and their atmospheres. The solid and molecular components delivered to the planet-forming region can be best characterized by mid-infrared spectroscopy. With Spitzer low-resolution (<em>R</em> = 100, 600) spectroscopy, this approach was limited to the detection of abundant molecules, such as H<small>₂</small>O, C<small>₂</small>H<small>₂</small>, HCN and CO<small>₂</small>. This contribution will present the first results of the MINDS (MIRI mid-INfrared Disk Survey, PI:Th Henning) project. Due do the sensitivity and spectral resolution provided by the James Webb Space Telescope (JWST), we now have a unique tool to obtain the full inventory of chemistry in the inner disks of solar-type stars and brown dwarfs, including also less-abundant hydrocarbons and isotopologues. The Integral Field Unit (IFU) capabilities will enable at the same time spatial studies of the continuum and line emission in extended sources such as debris disks, the flying saucer and also the search for mid-IR signatures of forming planets in systems such as PDS 70. These JWST observations are complementary to ALMA and NOEMA observations of outer-disk chemistry; together these datasets will provide an integral view of the processes occurring during the planet-formation phase.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 112-137"},"PeriodicalIF":3.4,"publicationDate":"2023-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"List of participants","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"243 ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2023-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3727973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering†","authors":"Bingxin Chu, Denys Biriukov, Marie Bischoff, Milan Předota, Sylvie Roke and Arianna Marchioro","doi":"10.1039/D3FD00036B","DOIUrl":"10.1039/D3FD00036B","url":null,"abstract":"<p >Investigating the electrical double layer (EDL) structure has been a long-standing challenge and has seen the emergence of several sophisticated techniques able to probe selectively the few molecular layers of a solid/water interface. While a qualitative estimation of the thickness of the EDL can be obtained using simple theoretical models, following experimentally its evolution is not straightforward and can be even more complicated in nano- or microscale systems, particularly when changing the ionic concentration by several orders of magnitude. Here, we bring insight into the structure of the EDL of SiO<small>₂</small> nanoparticle suspensions and its evolution with increasing ionic concentration using angle-resolved second harmonic scattering (AR-SHS). Below millimolar salt concentrations, we can successively characterize inner-sphere adsorption, diffuse layer formation, and outer-sphere adsorption. Moreover, we show for the first time that, by appropriately selecting the nanoparticle size, it is possible to retrieve information also in the millimolar range. There, we observe a decrease in the magnitude of the surface potential corresponding to a compression in the EDL thickness, which agrees with the results of several other electroanalytical and optical techniques. Molecular dynamics simulations suggest that the EDL compression mainly results from the diffuse layer compression rather than outer-sphere ions (Stern plane) moving closer to the surface.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"246 ","pages":" 407-425"},"PeriodicalIF":3.4,"publicationDate":"2023-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/fd/d3fd00036b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9783896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the capabilities of bipolar conical channels in neuromorphic iontronics","authors":"T. M. Kamsma, W. Q. Boon, C. Spitoni and R. van Roij","doi":"10.1039/D3FD00022B","DOIUrl":"10.1039/D3FD00022B","url":null,"abstract":"<p >Conical channels filled with an aqueous electrolyte have been proposed as promising candidates for iontronic neuromorphic circuits. This is facilitated by a novel analytical model for the internal channel dynamics [T. M. Kamsma, W. Q. Boon, T. ter Rele, C. Spitoni and R. van Roij, <em>Phys. Rev. Lett.</em>, 2023, <strong>130</strong>(26), 268401], the relative ease of fabrication of conical channels, and the wide range of achievable memory retention times by varying the channel lengths. In this work, we demonstrate that the analytical model for conical channels can be generalized to channels with an inhomogeneous surface charge distribution, which we predict to exhibit significantly stronger current rectification and more pronounced memristive properties in the case of bipolar channels, <em>i.e.</em> channels where the tip and base carry a surface charge of opposite sign. Additionally, we show that the use of bipolar conical channels in a previously proposed iontronic circuit features hallmarks of neuronal communication, such as all-or-none action potentials and spike train generation. Bipolar channels allow, however, for circuit parameters in the range of their biological analogues, and exhibit membrane potentials that match well with biological mammalian action potentials, further supporting their potential biocompatibility.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"246 ","pages":" 125-140"},"PeriodicalIF":3.4,"publicationDate":"2023-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2023/fd/d3fd00022b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9769745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrocatalytic and photocatalytic routes to N2 activation: general discussion","authors":"Suchi Biswas, Katharina Brinkert, Richard A. Catlow, Hsin-Yi Tiffany Chen, Joseph El-Kadi, Lucia Fagiolari, Wenbo Gao, Divyani Gupta, Justin S. J. Hargreaves, Marta C. Hatzell, Patrick L. Holland, Hideo Hosono, John T. S. Irvine, Mauricio Isaacs, Yoji Kobayashi, Luc Liedtke, Álvaro Lozano-Roche, Doug MacFarlane, Anna Mangini, Ian J. McPherson, Vineet Mishra, Pinkie Ntola, Shiho Otomo, Jonas C. Peters, Marcel Risch, Lorenzo Rizzato, Muhammed Safeer N. K., Sergii I. Shylin, Carsten Sievers, Vivek Sinha, Ifan E. L. Stephens, Tim Sudmeier, Feiyang Tian, Kylie A. Vincent, Qianru Wang, Yaolin Wang, Olivia Westhead, Lukman Yusuf and Giacomo Zuliani","doi":"10.1039/D3FD90007J","DOIUrl":"https://doi.org/10.1039/D3FD90007J","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"243 ","pages":" 402-428"},"PeriodicalIF":3.4,"publicationDate":"2023-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3675832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Alternative routes to NH3 and its application: general discussion","authors":"C. Richard A. Catlow, Joseph El-Kadi, Yeqin Guan, Justin S. J. Hargreaves, Patrick L. Holland, Hideo Hosono, Mauricio Isaacs, Manpreet Kaur, Yoji Kobayashi, Douglas R. MacFarlane, Vineet Mishra, Pinkie Ntola, Muhammed Safeer N. K., Sergii I. Shylin, Samira Siahrostami, Carsten Sievers, Deep Lata Singh, Laura Torrente Murciano, Romain Tort, Shik Chi Edman Tsang, Deniz Uner, Kylie A. Vincent, Qianru Wang and Lukman Yusuf","doi":"10.1039/D3FD90009F","DOIUrl":"https://doi.org/10.1039/D3FD90009F","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"243 ","pages":" 549-556"},"PeriodicalIF":3.4,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3759153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Homogeneous N2 activation: general discussion","authors":"Andrew Ashley, Katharina Brinkert, C. Richard A. Catlow, Ping Chen, Fatima Abi Ghaida, Justin S. J. Hargreaves, Patrick L. Holland, Hideo Hosono, Mauricio Isaacs, Álvaro Lozano-Roche, Douglas MacFarlane, Pinkie Ntola, Jonas C. Peters, Christopher J. Pickett, Zhangjie Shi, Deep Lata Singh, Vivek Sinha, Deniz Uner, Kylie A. Vincent, Yaolin Wang, Qianru Wang and Xin Zeng","doi":"10.1039/D3FD90008H","DOIUrl":"https://doi.org/10.1039/D3FD90008H","url":null,"abstract":"","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"243 ","pages":" 492-501"},"PeriodicalIF":3.4,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"3675840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A statistical and machine learning approach to the study of astrochemistry","authors":"Johannes Heyl, Serena Viti and Gijs Vermariën","doi":"10.1039/D3FD00008G","DOIUrl":"https://doi.org/10.1039/D3FD00008G","url":null,"abstract":"<p >In order to obtain a good understanding of astrochemistry, it is crucial to better understand the key parameters that govern grain-surface chemistry. For many chemical networks, these crucial parameters are the binding energies of the species. However, there exists much disagreement regarding these values in the literature. In this work, a Bayesian inference approach is taken to estimate these values. It is found that this is difficult to do in the absence of enough data. The Massive Optimised Parameter Estimation and Data (MOPED) compression algorithm is then used to help determine which species should be prioritised for future detections in order to better constrain the values of binding energies. Finally, an interpretable machine learning approach is taken in order to better understand the non-linear relationship between binding energies and the final abundances of specific species of interest.</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 569-585"},"PeriodicalIF":3.4,"publicationDate":"2023-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Direct frequency comb spectroscopy of HCN to evaluate line lists","authors":"D. Michelle Bailey, Eric M. Crump, Joseph T. Hodges and Adam J. Fleisher","doi":"10.1039/D3FD00019B","DOIUrl":"https://doi.org/10.1039/D3FD00019B","url":null,"abstract":"<p >We report direct frequency comb spectroscopy of the 2<em>ν</em><small>₁</small> band of H<small>¹³</small>CN in the short-wave infrared (<em>λ</em> = 1.56 μm) towards experimental validation of molecular line lists that support observatories like JWST. The laboratory measurements aim to test spectral reference data generated from an experimentally accurate potential energy surface (PES) and an <em>ab initio</em> dipole moment surface (DMS) calculated from quantum chemistry theory. Benchmarking theory with experiment will improve confidence in new astrophysics and astrochemistry inferred from spectroscopic observations of HCN and HNC. Here we describe our instrumentation and initial results using a cross-dispersed spectrometer with a virtually imaged phased array (VIPA).</p>","PeriodicalId":76,"journal":{"name":"Faraday Discussions","volume":"245 ","pages":" 368-379"},"PeriodicalIF":3.4,"publicationDate":"2023-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"24849596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}