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Title: Hybrid density functional study of structural and electronic properties of functionalized Ti n + 1 X n ( X = C , N) monolayers

Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 87; Journal Issue: 23; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia; Journal ID: ISSN 1098-0121
American Physical Society (APS)
Country of Publication:
United States
catalysis (heterogeneous), solar (fuels), energy storage (including batteries and capacitors), hydrogen and fuel cells, electrodes - solar, mechanical behavior, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Xie, Yu, and Kent, P. R. C. Hybrid density functional study of structural and electronic properties of functionalized Ti n+1Xn ( X=C , N) monolayers. United States: N. p., 2013. Web. doi:10.1103/PhysRevB.87.235441.
Xie, Yu, & Kent, P. R. C. Hybrid density functional study of structural and electronic properties of functionalized Ti n+1Xn ( X=C , N) monolayers. United States. doi:10.1103/PhysRevB.87.235441.
Xie, Yu, and Kent, P. R. C. Sat . "Hybrid density functional study of structural and electronic properties of functionalized Ti n+1Xn ( X=C , N) monolayers". United States. doi:10.1103/PhysRevB.87.235441.
title = {Hybrid density functional study of structural and electronic properties of functionalized Ti n+1Xn ( X=C , N) monolayers},
author = {Xie, Yu and Kent, P. R. C.},
abstractNote = {},
doi = {10.1103/PhysRevB.87.235441},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 23,
volume = 87,
place = {United States},
year = {2013},
month = {6}

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