Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study

Green’s function methods for single molecule junctions

(2020) Guy Cohen et al.   JOURNAL OF CHEMICAL PHYSICS

Electric-field-driven dual-functional molecular switches in tunnel junctions

(2020) Yingmei Han et al.   NATURE MATERIALS

Charge disproportionate molecular redox for discrete memristive and memcapacitive switching

(2020) Sreetosh Goswami et al.   Nature Nanotechnology

Functional Redox‐Active Molecular Tunnel Junctions

(2020) Yingmei Han et al.   Chemistry-An Asian Journal

Reversal of the Direction of Rectification Induced by Fermi Level Pinning at Molecule–Electrode Interfaces in Redox-Active Tunneling Junctions

(2020) Yingmei Han et al.   ACS Applied Materials & Interfaces

Conceptual Framework of Organic Electronics

(2019) Ganna Gryn'ova et al.   CHIMIA

Beyond Charge Balance: Counter-Cations in Polyoxometalate Chemistry

(2019) Archismita Misra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of the Chemical Potentials of Electrodes on Charge Transport across Molecular Junctions

(2019) Geng-Min Lin et al.   Journal of Physical Chemistry C

QuantumATK: an integrated platform of electronic and atomic-scale modelling tools

(2019) Søren Smidstrup et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Can One Define the Conductance of Amino Acids?

(2019) Zotti et al.   Biomolecules

Electron transport analysis in positional isomers - A DFT-NEGF approach

(2019) A. Aadhityan et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Polyoxometalates as potential next-generation metallodrugs in the combat against cancer

(2018) Aleksandar Bijelic et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Perspective: Theory of quantum transport in molecular junctions

(2018) Michael Thoss et al.   JOURNAL OF CHEMICAL PHYSICS

Encapsulating ionic liquids into POM-based MOFs to improve their conductivity for superior lithium storage

(2018) Mi Zhang et al.   Journal of Materials Chemistry A

Molecular signature of polyoxometalates in electron transport of silicon-based molecular junctions

(2018) Maxime Laurans et al.   Nanoscale

Control over Near-Ballistic Electron Transport through Formation of Parallel Pathways in a Single-Molecule Wire

(2018) Albert C. Aragonès et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media

(2017) Marta Blasco-Ahicart et al.   Nature Chemistry

Molecular-Scale Electronics: From Concept to Function

(2016) Dong Xiang et al.   CHEMICAL REVIEWS

First-Principles Calculations of Electron Transport through Azulene

(2016) Ahmed M. El-Nahas et al.   Journal of Physical Chemistry C

Enhancing coherence in molecular spin qubits via atomic clock transitions

(2016) Muhandis Shiddiq et al.   NATURE

Optimization algorithm for the generation of ONCV pseudopotentials

(2015) Martin Schlipf et al.   COMPUTER PHYSICS COMMUNICATIONS

Polyoxometalate – conductive polymer composites for energy conversion, energy storage and nanostructured sensors

(2015) Sven Herrmann et al.   DALTON TRANSACTIONS

Polyoxometalate-functionalized nanocarbon materials for energy conversion, energy storage and sensor systems

(2015) Yuanchun Ji et al.   Energy & Environmental Science

Correlation of breaking forces, conductances and geometries of molecular junctions

(2015) Koji Yoshida et al.   Scientific Reports

Optimization and Evaluation of Variability in the Programming Window of a Flash Cell With Molecular Metal–Oxide Storage

(2014) Vihar P. Georgiev et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

Tungsten polyoxometalate molecules as active nodes for dynamic carrier exchange in hybrid molecular/semiconductor capacitors

(2014) A. Balliou et al.   JOURNAL OF APPLIED PHYSICS

Design and fabrication of memory devices based on nanoscale polyoxometalate clusters

(2014) Christoph Busche et al.   NATURE

The role of molecule–electrode contact in single-molecule electronics

(2014) Joshua Hihath et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Towards Polyoxometalate-Cluster-Based Nano-Electronics

(2013) Laia Vilà-Nadal et al.   CHEMISTRY-A EUROPEAN JOURNAL

Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks

(2013) Yu Hou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure, properties and reactivity of polyoxometalates: a theoretical perspective

(2012) Xavier López et al.   CHEMICAL SOCIETY REVIEWS

From serendipity to design of polyoxometalates at the nanoscale, aesthetic beauty and applications

(2012) Leroy Cronin et al.   CHEMICAL SOCIETY REVIEWS

Role of the Alkali-Metal Cation Size in the Self-Assembly of Polyoxometalate-Monolayer Shells on Gold Nanoparticles

(2012) Yifeng Wang et al.   INORGANIC CHEMISTRY

Science and Engineering Beyond Moore's Law

(2012) R. K. Cavin et al.   PROCEEDINGS OF THE IEEE

Ionic radii for Group 1 and Group 2 halide, hydride, fluoride, oxide, sulfide, selenide and telluride crystals

(2010) Peter F. Lang et al.   DALTON TRANSACTIONS

Polyoxometalate-Based Layered Structures for Charge Transport Control in Molecular Devices

(2008) Antonios M. Douvas et al.   ACS Nano