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This content will become publicly available on June 25, 2019

Title: The stability, electronic structure, and optical absorption of boron-nitride diamondoids predicted with first-principles calculations

The stability, electronic structure, and optical properties of six boron-nitride diamondoids are systematically studied with state-of-the-art computational methods and compared with diamondoids.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [2] ; ORCiD logo [1]
  1. 201 East 24th Street, Austin, USA
  2. Department of Physics, University of Illinois at Chicago, Chicago, USA
Publication Date:
Grant/Contract Number:
AC02-05CH11231; FG02-06ER46286; SC0017824
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 28; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1459224