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School of Physics
Physics
Physics (Scholarly Publications)
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School of Physics
Physics
Physics (Scholarly Publications)
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Author
RUNGGER, IVAN (8)
SANVITO, STEFANO (8)
Subject
density functional theory (2)
Nanoscience & Materials (2)
Physics (2)
benzenedithiol (1)
conductance calculations (1)
electron transport (1)
gold nanowires (1)
Hydrogen bonding (1)
molecular heterojunction electronics, (1)
molecular simulation (1)
... View More
Date Issued
2013 (8)
Sponsor
Science Foundation Ireland (SFI) (3)
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Atomistic simulations of highly conductive molecular transport junctions under realistic conditions
SANVITO, STEFANO
;
RUNGGER, IVAN
(
2013
)
Structural origins of conductance fluctuations in gold-thiolate molecular transport junctions
RUNGGER, IVAN
;
SANVITO, STEFANO
(
2013
)
Constrained-DFT method for accurate energy-level alignment of metal/molecule interfaces
SANVITO, STEFANO
;
RUNGGER, IVAN
(
2013
)
Origin of the n-type and p-type conductivity of MoS2 monolayers on a SiO2 substrate
SANVITO, STEFANO
;
RUNGGER, IVAN
(
2013
)
Hydrogen bonding as the origin of the switching behavior in dithiolated phenylene-vinylene oligomers
RUNGGER, IVAN
;
SANVITO, STEFANO
(
2013
)
Possible doping strategies for MoS2 monolayers: An ab initio study
RUNGGER, IVAN
;
SANVITO, STEFANO
(
2013
)
Structural and tunneling properties of Si nanowires
SANVITO, STEFANO
;
RUNGGER, IVAN
(
2013
)
Ab initio theory for current-induced molecular switching: Melamine on Cu(001)
RUNGGER, IVAN
;
SANVITO, STEFANO
(
2013
)