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Title: Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides

Authors:
; ;
Publication Date:
Grant/Contract Number:
FG02-96ER45571
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 92; Journal Issue: 11; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1214339

Seo, Dong-Hwa, Urban, Alexander, and Ceder, Gerbrand. Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides. United States: N. p., Web. doi:10.1103/PhysRevB.92.115118.
Seo, Dong-Hwa, Urban, Alexander, & Ceder, Gerbrand. Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides. United States. doi:10.1103/PhysRevB.92.115118.
Seo, Dong-Hwa, Urban, Alexander, and Ceder, Gerbrand. 2015. "Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides". United States. doi:10.1103/PhysRevB.92.115118.
@article{osti_1214339,
title = {Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides},
author = {Seo, Dong-Hwa and Urban, Alexander and Ceder, Gerbrand},
abstractNote = {},
doi = {10.1103/PhysRevB.92.115118},
journal = {Physical Review B},
number = 11,
volume = 92,
place = {United States},
year = {2015},
month = {9}
}