4.6 Article

First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions

Related references

Note: Only part of the references are listed.
Article Physics, Multidisciplinary

Heat dissipation and its relation to thermopower in single-molecule junctions

L. A. Zotti et al.

NEW JOURNAL OF PHYSICS (2014)

Article Chemistry, Physical

End-Group Influence on Frontier Molecular Orbital Reorganization and Thermoelectric Properties of Molecular Junctions

Janakiraman Balachandran et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Article Physics, Condensed Matter

Length and energy gap dependences of thermoelectricity in nanostructured junctions

Yoshihiro Asai

JOURNAL OF PHYSICS-CONDENSED MATTER (2013)

Article Chemistry, Multidisciplinary

Thermoelectric Efficiency of Organometallic Complex Wires via Quantum Resonance Effect and Long-Range Electric Transport Property

Hisao Nakamura et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Multidisciplinary

Engineering the Thermopower of C60 Molecular Junctions

Charalambos Evangeli et al.

NANO LETTERS (2013)

Article Chemistry, Multidisciplinary

Length-Dependent Thermopower of Highly Conducting Au-C Bonded Single Molecule Junctions

J. R. Widawsky et al.

NANO LETTERS (2013)

Article Multidisciplinary Sciences

Heat dissipation in atomic-scale junctions

Woochul Lee et al.

NATURE (2013)

Article Physics, Applied

Enhancement of thermoelectric efficiency and violation of the Wiedemann-Franz law due to Fano effect

G. Gomez-Silva et al.

JOURNAL OF APPLIED PHYSICS (2012)

Article Physics, Condensed Matter

Ab initio thermal transport properties of nanostructures from density functional perturbation theory

Arrigo Calzolari et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2012)

Article Materials Science, Multidisciplinary

Ab initio study of the thermopower of biphenyl-based single-molecule junctions

M. Buerkle et al.

PHYSICAL REVIEW B (2012)

Article Multidisciplinary Sciences

Coherent Phonon Heat Conduction in Superlattices

Maria N. Luckyanova et al.

SCIENCE (2012)

Article Engineering, Electrical & Electronic

First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

Branislav K. Nikolic et al.

JOURNAL OF COMPUTATIONAL ELECTRONICS (2012)

Article Chemistry, Physical

Controlling the transmission line shape of molecular t-stubs and potential thermoelectric applications

Robert Stadler et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Multidisciplinary

Effect of Length and Contact Chemistry on the Electronic Structure and Thermoelectric Properties of Molecular Junctions

Aaron Tan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Single-Molecule Conductance through Multiple π-π-Stacked Benzene Rings Determined with Direct Electrode-to-Benzene Ring Connections

Severin T. Schneebeli et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Thermoelectricity in Fullerene-Metal Heterojunctions

Shannon K. Yee et al.

NANO LETTERS (2011)

Article Materials Science, Multidisciplinary

Efficiency of thermoelectric energy conversion in biphenyl-dithiol junctions: Effect of electron-phonon interactions

Nikolai Sergueev et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Multidisciplinary

Giant Thermoelectric Effect from Transmission Supernodes

Justin P. Bergfield et al.

ACS NANO (2010)

Review Chemistry, Physical

Nanostructured Thermoelectrics: The New Paradigm?

Mercouri G. Kanatzidis

CHEMISTRY OF MATERIALS (2010)

Article Chemistry, Multidisciplinary

Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts

Artem Mishchenko et al.

NANO LETTERS (2010)

Article Materials Science, Multidisciplinary

Engineering the figure of merit and thermopower in single-molecule devices connected to semiconducting electrodes

D. Nozaki et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Giant thermopower and figure of merit in single-molecule devices

C. M. Finch et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Ab initio theory of the lattice thermal conductivity in diamond

A. Ward et al.

PHYSICAL REVIEW B (2009)

Review Physics, Condensed Matter

Quantum thermal transport in nanostructures

J. -S. Wang et al.

EUROPEAN PHYSICAL JOURNAL B (2008)

Article Chemistry, Physical

Thermoelectrics in an array of molecular junctions

K.-H. Muller

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

Probing the chemistry of molecular heterojunctions using thermoelectricity

Kanhayalal Baheti et al.

NANO LETTERS (2008)

Article Physics, Multidisciplinary

Cluster-based density-functional approach to quantum transport through molecular and atomic contacts

F. Pauly et al.

NEW JOURNAL OF PHYSICS (2008)

Article Materials Science, Multidisciplinary

Nonequilibrium phonon effects on transport properties through atomic and molecular bridge junctions

Yoshihiro Asai

PHYSICAL REVIEW B (2008)

Article Chemistry, Multidisciplinary

Amine-gold linked single-molecule circuits: Experiment and theory

Su Ying Quek et al.

NANO LETTERS (2007)

Article Multidisciplinary Sciences

Thermoelectricity in molecular junctions

Pramod Reddy et al.

SCIENCE (2007)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Article Multidisciplinary Sciences

Dependence of single-molecule junction conductance on molecular conformation

Latha Venkataraman et al.

NATURE (2006)

Article Materials Science, Multidisciplinary

Nonequilibrium Green's function approach to mesoscopic thermal transport

Jian-Sheng Wang et al.

PHYSICAL REVIEW B (2006)

Article Physics, Multidisciplinary

Nonequilibrium Green's function approach to phonon transport in defective carbon nanotubes

Takahiro Yamamoto et al.

PHYSICAL REVIEW LETTERS (2006)

Article Chemistry, Physical

Accurate Coulomb-fitting basis sets for H to Rn

F Weigend

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Nuclear second analytical derivative calculations using auxiliary basis set expansions

P Deglmann et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Materials Science, Multidisciplinary

Thermoelectric effect in molecular electronics

M Paulsson et al.

PHYSICAL REVIEW B (2003)

Article Materials Science, Multidisciplinary

Phonon transport in nanowires coated with an amorphous material: An atomistic Green's function approach

N Mingo et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

An efficient implementation of second analytical derivatives for density functional methods

P Deglmann et al.

CHEMICAL PHYSICS LETTERS (2002)