BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//THOMAS YOUNG CENTRE - ECPv6.15.17//NONSGML v1.0//EN
CALSCALE:GREGORIAN
METHOD:PUBLISH
X-WR-CALNAME:THOMAS YOUNG CENTRE
X-ORIGINAL-URL:https://thomasyoungcentre.org
X-WR-CALDESC:Events for THOMAS YOUNG CENTRE
REFRESH-INTERVAL;VALUE=DURATION:PT1H
X-Robots-Tag:noindex
X-PUBLISHED-TTL:PT1H
BEGIN:VTIMEZONE
TZID:Europe/London
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20230326T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20231029T010000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20240331T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20241027T010000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:+0000
TZOFFSETTO:+0100
TZNAME:BST
DTSTART:20250330T010000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:+0100
TZOFFSETTO:+0000
TZNAME:GMT
DTSTART:20251026T010000
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTART;TZID=Europe/London:20240313T160000
DTEND;TZID=Europe/London:20240313T170000
DTSTAMP:20260430T153818
CREATED:20240205T102440Z
LAST-MODIFIED:20240220T140448Z
UID:4793-1710345600-1710349200@thomasyoungcentre.org
SUMMARY:TYC Seminar: Understanding extended defects in energy materials through first-principles calculations and electron microscopy – Keith McKenna\, York 
DESCRIPTION:B03 Ricardo LT in Drayton House \n\n\n\n\n\n\n\n\n\n\nTYC Seminar: Modelling grain boundaries and interfaces – Keith McKenna\, York  Share on X\n\n\n\n\nSemiconducting materials find diverse applications in areas such as microelectronics\, lighting and renewable energy. For energy applications such as photoelectrochemical cells\, photovoltaics and themoelectrics significant effort is now focused on the discovery and optimisation of semiconductors to improve performance and materials sustainability. In practice such materials are often polycrystalline with extended defects such as grain boundaries and dislocations playing a decisive role in their properties. For example\, grain boundaries in solar absorbers often cause enhanced non-radiative electron-hole recombination reducing the performance of photovoltaic devices. While the role of extended defects on mechanical properties is relatively well understood their impact on electronic and optical properties is far less clear and challenging to probe experimentally. \n\n\n\nIn this talk\, I will present some of our recent work on modelling the structure and properties of extended defects using first principles methods. These investigations are often performed alongside complementary electron microscopy studies\, which as we highlight in a recent review paper is an extremely powerful combination [1]. Examples will include titanium dioxide [2-5]\, formamidinium lead iodide [6\,7]\, antimony selenide [8-10]\, bournonite and enargite [11]. \n\n\n\nReferences \n\n\n\n[1] J. Quirk et al\, Appl. Phys. Rev. 11\, 011308 (2024)[2] J. Quirk et al\, Adv. Theory Simul. 2\, 1900157 (2019)[3] J. Quirk et al\, Nano Lett. 21\, 9217 (2021)[4] G. Schusteritsch et al\, Nano Lett. 21\, 2745 (2021)[5] J. Debgupta et al\, J. Phys. Chem. C 127\, 660 (2023)[6] K. P. McKenna\, ACS Energy Letters 3\, 2663 (2018)[7] M. U. Rothmann et al\, Adv. Mater. Interfaces 2300249 (2023)[8] R. E. Williams et al\, ACS Appl. Mater. & Inter. 12\, 21730 (2020)[9] K. P. McKenna\, Adv. Electron. Mater. 7\, 2000908 (2021)[10] R. A. Lomas-Zapata et al\, Phys. Rev. X Energy (in press)[11] O. M. Rigby et al\, J. Appl. Phys. 132\, 185001 (2022)
URL:https://thomasyoungcentre.org/event/tyc-seminar-understanding-extended-defects-in-energy-materials-through-first-principles-calculations-and-electron-microscopy-keith-mckenna-york/
CATEGORIES:Main event
END:VEVENT
END:VCALENDAR