Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session F66: Towards Application: Organics and Surfaces
8:00 AM–10:48 AM,
Tuesday, March 15, 2022
Room: Hyatt Regency Hotel -Grant Park D
Chair: Andreas Riemann, Western Washington University
Abstract: F66.00008 : Controlling interface polymorphism of TCNE/Cu(111) with external electric fields*
9:24 AM–9:36 AM
Presenter:
Johannes J Cartus
(Graz University of Technology)
Authors:
Johannes J Cartus
(Graz University of Technology)
Oliver T Hofmann
(Graz University of Technology)
In this contribution we explore how desirable polymorphs we can be stabilized using external electric fields. We employ a structure search algorithm based on a combination of density functional theory calculations and machine learning to tackle the following questions: Can we promote the formation of specific phases with electric fields? Can we create previously unseen phases with electric fields?
*Funding through the project of the Austrian Science Fund (FWF): Y1157-N36 "MAP-DESIGN" is gratefully acknowledged. Computational results have been achieved using the Vienna Scientific Cluster (VSC)
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