BEGIN:VCALENDAR VERSION:2.0 PRODID:IEEE vTools.Events//EN CALSCALE:GREGORIAN BEGIN:VTIMEZONE TZID:America/New_York BEGIN:DAYLIGHT DTSTART:20260308T030000 TZOFFSETFROM:-0500 TZOFFSETTO:-0400 RRULE:FREQ=YEARLY;BYDAY=2SU;BYMONTH=3 TZNAME:EDT END:DAYLIGHT BEGIN:STANDARD DTSTART:20251102T010000 TZOFFSETFROM:-0400 TZOFFSETTO:-0500 RRULE:FREQ=YEARLY;BYDAY=1SU;BYMONTH=11 TZNAME:EST END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20260205T230829Z UID:4402D8E4-1B5A-4DF0-BC87-692CB7237A7C DTSTART;TZID=America/New_York:20260205T120000 DTEND;TZID=America/New_York:20260205T130000 DESCRIPTION:Abstract:\n\nThe detection of different gases is of paramount i mportance for testing the quality of the air in our cities as well as for finding potential diseases. The advancement of chemical sensing technologi es depends on the development of materials capable of high sensitivity and reusability. Among these\, different materials such as graphene or Fe₃O ₄ nanoparticles have emerged as promising candidates due to their distin ctive electronic and magnetic properties\, particularly in response to gas adsorption events. However\, optimizing these sensors requires a deep und erstanding of gas-surface interactions at the atomic scale. This study emp loys Density Functional Theory (DFT) simulations to investigate the adsorp tion of key gas molecules for example NO₂\, H₂O and NH₃3 on graphene and CO\, N₂\, O₂ or CO₂ on Fe₃O₄ (111) surfaces. The role of di fferent defects is systematically assessed to understand their influence o n adsorption strength\, electronic structure\, and/or magnetization\, impr oving the understanding of the sensing mechanism of graphene or Fe₃O₄- based devices.\n\nCo-sponsored by: IEEE Nanotechnology Council\n\nSpeaker( s): \, Dr Aguinsky\n\nAgenda: \nDate: 29 January 2026\nTime: 17:00 Madrid/ Central European Time (16:00 UK\, 12:00 New York\, 08:00 California)\nDura tion: 1 Hour\n\nZoom link:\nhttps://zoom.us/j/94986284071?pwd=N6gC2ZVTC9B9 bWPypGkyGEZwKziqd5.1\n\nMeeting ID 949 8628 4071\nPasscode 015855\n\nVirtu al: https://events.vtools.ieee.org/m/537263 LOCATION:Virtual: https://events.vtools.ieee.org/m/537263 ORGANIZER:bettermann@ieee.org SEQUENCE:6 SUMMARY:First-Principles Simulations of Molecular Adsorption on Surfaces fo r Gas Sensing Applications URL;VALUE=URI:https://events.vtools.ieee.org/m/537263 X-ALT-DESC:Description: <br /><p>&nbsp\;</p>\n<div>Abstract:</div>\n<div><b r>The detection of different gases is of paramount importance for testing the quality of the air in our cities as well as for finding potential dise ases. The advancement of chemical sensing technologies depends on the deve lopment of materials capable of high sensitivity and reusability. Among th ese\, different materials such as graphene or Fe₃O₄ nanoparticles have emerged as promising candidates due to their distinctive electronic and m agnetic properties\, particularly in response to gas adsorption events. Ho wever\, optimizing these sensors requires a deep understanding of gas-surf ace interactions at the atomic scale. This study employs Density Functiona l Theory (DFT)&nbsp\;<span class="il">simulations</span> to investigate th e adsorption of key gas molecules for example NO₂\, H₂O and NH₃3 on graphene and CO\, N₂\, O₂ or CO₂ on Fe₃O₄ (111) surfaces. The ro le of different defects is systematically assessed to understand their inf luence on adsorption strength\, electronic structure\, and/or magnetizatio n\, improving the understanding of the sensing mechanism of graphene or Fe ₃O₄-based devices.</div><br /><br />Agenda: <br /><section>\n<div>Date : 29 January 2026</div>\n<div>Time: 17:00 Madrid/Central European Time (16 :00 UK\, 12:00 New York\, 08:00 California)</div>\n<div>Duration: 1 Hour</ div>\n<p>Zoom link:&nbsp\;<br>https://zoom.us/j/94986284071?pwd=N6gC2ZVTC9 B9bWPypGkyGEZwKziqd5.1<br>&nbsp\;<br>Meeting ID 949 8628 4071<br>Passcode 015855</p>\n</section>\n<div>\n<div class="gmail_default">\n<div>\n<div cl ass="gmail_default">\n<div>\n<div class="gmail_default">\n<div>\n<div>\n<p >&nbsp\;</p>\n</div>\n</div>\n</div>\n</div>\n</div>\n</div>\n</div>\n</di v>\n<p class="MsoNormal">&nbsp\;</p> END:VEVENT END:VCALENDAR