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Thermoelectric Efficiency of Single-Molecule Junctions: Phase Diagram Constructed from First-Principles Calculations
Ilias Amanatidis
, Jing Yao Kao
, Li Yang Du
, Chun Wei Pao
,
Yu-Chang Chen
*
*
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引文 斯高帕斯(Scopus)
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Keyphrases
First-principles Calculations
100%
Phase Diagram
100%
Thermoelectric Efficiency
100%
Single-molecule Junction
100%
Room Temperature
66%
Transport Mechanism
66%
Seebeck Coefficient
66%
Low Temperature
33%
P-type
33%
Four-phase
33%
Thermoelectric Properties
33%
High Temperature
33%
Nanojunction
33%
Density Functional Theory
33%
Temperature Regime
33%
Parameter-free
33%
Weakest Link Model
33%
Thermal Conductance
33%
Power-law Behavior
33%
Lippmann-Schwinger
33%
Scattering Approach
33%
Electric Conductance
33%
Quantum Regime
33%
Phonon Transport
33%
Phonon Thermal Conductivity
33%
Non-equilibrium Molecular Dynamics Simulation
33%
Ballistic Phonon Transport
33%
Chemistry
Conductance
100%
First Principle
100%
Thermoelectricity
100%
Phase Diagrams
100%
Phonon
100%
Ambient Reaction Temperature
66%
Seebeck Effect
66%
Density Functional Theory
33%
Nonequilibrium
33%
Molecular dynamics simulation
33%
Physics
First Principle
100%
Phase Diagrams
100%
Thermoelectricity
100%
Phonon
100%
Room Temperature
66%
Seebeck Effect
66%
Molecular Dynamics
33%
Density Functional Theory
33%
Material Science
Thermoelectrics
100%
Density
33%