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Volumn 604, Issue 11-12, 2010, Pages 932-938
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Electronic core levels of hydroxyls at the surface of chromia related to their XPS O 1s signature: A DFT + U study
a
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Author keywords
Core level shits; Cr 2p; Cr2O3; DFT + U; Hydroxylation; O 1s; OH groups; XPS
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Indexed keywords
BINDING ENERGY SHIFTS;
CHROMIA;
COORDINATION NUMBER;
CORE LEVEL SHITS;
CORE LEVELS;
COVALENCIES;
FINAL STATE;
FIRST PRINCIPLES METHOD;
INITIAL STATE;
MAIN EFFECT;
O-H BOND;
OH GROUP;
SURFACE TERMINATION;
XPS;
CHROMIUM;
HYDROXYLATION;
NUCLEAR ENERGY;
POTENTIAL ENERGY;
X RAY PHOTOELECTRON SPECTROSCOPY;
BINDING ENERGY;
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EID: 77951255247
PISSN: 00396028
EISSN: None
Source Type: Journal
DOI: 10.1016/j.susc.2010.02.023 Document Type: Article |
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Times cited : (26)
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References (0)
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