Organic optoelectronic materials: mechanisms and applications
O Ostroverkhova - Chemical reviews, 2016 - ACS Publications
Organic (opto) electronic materials have received considerable attention due to their
applications in thin-film-transistors, light-emitting diodes, solar cells, sensors, photorefractive …
applications in thin-film-transistors, light-emitting diodes, solar cells, sensors, photorefractive …
Recent advances and perspectives on nonadiabatic mixed quantum–classical dynamics
Nonadiabatic mixed quantum–classical (NA-MQC) dynamics methods form a class of
computational theoretical approaches in quantum chemistry tailored to investigate the time …
computational theoretical approaches in quantum chemistry tailored to investigate the time …
Solution-processed green and blue quantum-dot light-emitting diodes with eliminated charge leakage
Quantum-dot light-emitting diodes (QD-LEDs) promise a new generation of efficient, low-
cost, large-area and flexible electroluminescent devices. However, the inferior performance …
cost, large-area and flexible electroluminescent devices. However, the inferior performance …
Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …
systems, are characterized by strong coupling between electronic and vibrational degrees of …
Charge transport in organic semiconductors: the perspective from nonadiabatic molecular dynamics
Conspectus Organic semiconductors (OSs) are an exciting class of materials that have
enabled disruptive technologies in this century including large-area electronics, flexible …
enabled disruptive technologies in this century including large-area electronics, flexible …
Charge transport in molecular materials: An assessment of computational methods
The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …
on electronic properties of organic molecular solids. In particular, with respect to a …
Recent advances in the theory and molecular simulation of biological electron transfer reactions
J Blumberger - Chemical reviews, 2015 - ACS Publications
1. INTRODUCTION AND OVERVIEW The transfer and transport of electrons through
biological matter is one of the key steps underlying cellular energy harvesting, storage, and …
biological matter is one of the key steps underlying cellular energy harvesting, storage, and …
Molecular semiconductors for logic operations: dead‐end or bright future?
The field of organic electronics has been prolific in the last couple of years, leading to the
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
design and synthesis of several molecular semiconductors presenting a mobility in excess of …
Recent progress in surface hop**: 2011–2015
Developed 25 years ago, Tully's fewest switches surface hop** (FSSH) has proven to be
the most popular approach for simulating quantum-classical dynamics in a broad variety of …
the most popular approach for simulating quantum-classical dynamics in a broad variety of …
The transient localization scenario for charge transport in crystalline organic materials
Charge transport in crystalline organic semiconductors is intrinsically limited by the
presence of large thermal molecular motions, which are a direct consequence of the weak …
presence of large thermal molecular motions, which are a direct consequence of the weak …