BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Layered Electrides: What They Are\, What They Do\, and What Can Th
 ey Do - Adrian Rumson\, Dalhousie University
DTSTART:20250613T133000Z
DTEND:20250613T143000Z
UID:TALK229939@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:An electride is a type of ionic material where an electron loc
 alized in a void acts in place of an anion. A wide variety of electrides h
 ave been synthesized\, spanning many stoichiometries and geometries. From 
 a theory perspective\, they are of interest for their chemical and materia
 l applications\, and for their unique electronic structure. A sub-class of
  electrides are those that are also layered materials\, featuring electron
 s in the interlayer spacing. Modelling these materials with density-functi
 onal theory (DFT) requires a sufficient theoretical framework that account
 s for dispersion forces and uses a basis set that can capture the electrid
 e states. Their large exfoliation energies and small coefficients of therm
 al expansion make layered electrides unique among the family of layered ma
 terials. One application that could leverage the appealing properties of l
 ayered electrides is to improve charge transfer across metal/MoS2 heteroju
 nctions. Constructing low-resistance contacts is currently a major challen
 ge for the semiconductor industry\, and the insertion of a monolayer elect
 ride (Ca2N) to from a metal/Ca2N/MoS2 heterojunction could be the key to a
 n Ohmic contact. Of interest is which metal(s) would be optimal for such a
  heterojunction.
LOCATION:Unilever Lecture Theatre\,  Department of Chemistry
END:VEVENT
END:VCALENDAR