	PEOPLE	CENTERS	COMMUNITIES	RESEARCH STORIES

COMPUTATIONAL SIMULATIONS OF NANOCARBON-INFUSED METALS (I.E., COVETICS)

COMPUTATIONAL SIMULATIONS OF NANOCARBON-INFUSED METALS (I.E., COVETICS)

PI: Eva Deemer

Sponsor: US DEPARTMENT OF ENERGY THROUGH ARGONNE NATIONAL LABORATORY

Materials Research and Technology Institute (MRTI)

Amount awarded: $37,750

Using computational simulations, this project examines orbital overlaps using density functional theory to accelerate understanding the structures’ overall energy properties using the calculated density of states (DOS).

Posting date: Thu, 09/20/2018

Award start date: Tue, 09/11/2018

Award end date: Sun, 03/10/2019

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This material is based upon work supported in part by the Office of Research and Sponsored Projects and the National Science Foundation under Grant No. DUE-0963648 and CREST Grant No. HRD-1242122. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation (NSF).