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This content will become publicly available on December 20, 2019

Title: Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
DEAC02-05CH11231; AC02-06CH11357; SC0012704
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 12; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1488641

Smart, Tyler J., Wu, Feng, Govoni, Marco, and Ping, Yuan. Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials. United States: N. p., Web. doi:10.1103/PhysRevMaterials.2.124002.
Smart, Tyler J., Wu, Feng, Govoni, Marco, & Ping, Yuan. Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials. United States. doi:10.1103/PhysRevMaterials.2.124002.
Smart, Tyler J., Wu, Feng, Govoni, Marco, and Ping, Yuan. 2018. "Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials". United States. doi:10.1103/PhysRevMaterials.2.124002.
@article{osti_1488641,
title = {Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials},
author = {Smart, Tyler J. and Wu, Feng and Govoni, Marco and Ping, Yuan},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.124002},
journal = {Physical Review Materials},
number = 12,
volume = 2,
place = {United States},
year = {2018},
month = {12}
}

Works referenced in this record:

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journal, March 2013
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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Density?functional thermochemistry. III. The role of exact exchange
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