Interference enhanced thermoelectricity in quinoid type structures

Frontier Orbital Control of Molecular Conductance and its Switching

(2014) Yuta Tsuji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantum interference in off-resonant transport through single molecules

(2014) Kim G. L. Pedersen et al.   PHYSICAL REVIEW B

Nonclassical Paths in Quantum Interference Experiments

(2014) Rahul Sawant et al.   PHYSICAL REVIEW LETTERS

Phonon interference effects in molecular junctions

(2013) Troels Markussen   JOURNAL OF CHEMICAL PHYSICS

Single-Molecule Conductance of Functionalized Oligoynes: Length Dependence and Junction Evolution

(2013) Pavel Moreno-García et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Observation of Large Quantum Interference Effect in Anthraquinone Solid-State Junctions

(2013) Vincent Rabache et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Engineering the Thermopower of C60 Molecular Junctions

(2013) Charalambos Evangeli et al.   NANO LETTERS

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

(2013) J. R. Widawsky et al.   NANO LETTERS

Large tunable image-charge effects in single-molecule junctions

(2013) Mickael L. Perrin et al.   Nature Nanotechnology

A New Class of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics with Dithiafulvene-4,5-Dithiolate Anchoring Groups

(2012) Christian Richard Parker et al.   ADVANCED MATERIALS

DFT-Based Molecular Transport Implementation in ADF/BAND

(2012) C. J. O. Verzijl et al.   Journal of Physical Chemistry C

End-Group-Induced Charge Transfer in Molecular Junctions: Effect on Electronic-Structure and Thermopower

(2012) Janakiraman Balachandran et al.   Journal of Physical Chemistry Letters

Molecular Junctions Based on SAMs of Cruciform Oligo(phenylene ethynylene)s

(2012) Zhongming Wei et al.   LANGMUIR

Observation of quantum interference in molecular charge transport

(2012) Constant M. Guédon et al.   Nature Nanotechnology

Manipulation of organic polyradicals in a single-molecule transistor

(2012) J. Fock et al.   PHYSICAL REVIEW B

Image-charge-induced localization of molecular orbitals at metal-molecule interfaces: Self-consistentGWcalculations

(2012) M. Strange et al.   PHYSICAL REVIEW B

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

(2011) Robert Stadler et al.   JOURNAL OF CHEMICAL PHYSICS

Graphical prediction of quantum interference-induced transmission nodes in functionalized organic molecules

(2011) Troels Markussen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Increasing thermoelectric performance using coherent transport

(2011) O. Karlström et al.   PHYSICAL REVIEW B

Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions

(2011) M. Strange et al.   PHYSICAL REVIEW B

When “small” terms matter: Coupled interference features in the transport properties of cross-conjugated molecules

(2011) Gemma C Solomon et al.   Beilstein Journal of Nanotechnology

Giant Thermoelectric Effect from Transmission Supernodes

(2010) Justin P. Bergfield et al.   ACS Nano

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The Relation between Structure and Quantum Interference in Single Molecule Junctions

(2010) Troels Markussen et al.   NANO LETTERS

Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment

(2009) Guowen Peng et al.   Journal of Physical Chemistry C

When Things Are Not as They Seem: Quantum Interference Turns Molecular Electron Transfer “Rules” Upside Down

(2008) Gemma C. Solomon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Orbital Views of the Electron Transport in Molecular Devices

(2008) Kazunari Yoshizawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing the Chemistry of Molecular Heterojunctions Using Thermoelectricity

(2008) Kanhayalal Baheti et al.   NANO LETTERS

ConservingGWscheme for nonequilibrium quantum transport in molecular contacts

(2008) Kristian S. Thygesen et al.   PHYSICAL REVIEW B