Charge transport in organic semiconductors: the perspective from nonadiabatic molecular dynamics
S Giannini, J Blumberger - Accounts of Chemical Research, 2022 - ACS Publications
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 …
Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …
elusive, computational methods─ ranging from techniques based in classical and quantum …
Nonradiative energy losses in bulk-heterojunction organic photovoltaics
The performance of solar cells based on molecular electronic materials is limited by
relatively high nonradiative voltage losses. The primary pathway for nonradiative …
relatively high nonradiative voltage losses. The primary pathway for nonradiative …
Charge transport in organic semiconductors
As exemplified by this special issue of Chemical ReViews, organic electronics has emerged
as a vibrant field of research and development, spanning chemistry, physics, materials …
as a vibrant field of research and development, spanning chemistry, physics, materials …
Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers: a molecular picture
Inorganic semiconductor devices such as transistors have been instrumental in shaping the
development of our society of information and communication. Recently, the electronics and …
development of our society of information and communication. Recently, the electronics and …
Charge transport in high mobility molecular semiconductors: classical models and new theories
A Troisi - Chemical Society Reviews, 2011 - pubs.rsc.org
The theories developed since the fifties to describe charge transport in molecular crystals
proved to be inadequate for the most promising classes of high mobility molecular …
proved to be inadequate for the most promising classes of high mobility molecular …
[图书][B] Organic field-effect transistors
The remarkable development of organic thin film transistors (OTFTs) has led to their
emerging use in active matrix flat-panel displays, radio frequency identification cards, and …
emerging use in active matrix flat-panel displays, radio frequency identification cards, and …
Highly Efficient Purely Organic Phosphorescence Light‐Emitting Diodes Employing a Donor–Acceptor Skeleton with a Phenoxaselenine Donor
Purely organic room‐temperature phosphorescence (RTP) materials generally exhibit low
phosphorescence quantum yield (ϕP) and long phosphorescence lifetime (τP) due to the …
phosphorescence quantum yield (ϕP) and long phosphorescence lifetime (τP) due to the …
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
JW Knight, X Wang, L Gallandi… - Journal of chemical …, 2016 - ACS Publications
The performance of different GW methods is assessed for a set of 24 organic acceptors.
Errors are evaluated with respect to coupled cluster singles, doubles, and perturbative …
Errors are evaluated with respect to coupled cluster singles, doubles, and perturbative …
Transport properties in the rubrene crystal: electronic coupling and vibrational reorganization energy
DA da Silva Filho, EG Kim, JL Brédas - Advanced Materials, 2005 - faculty.kaust.edu.sa
The use of quantum chemical calculations of the electronic band structure and vibrational
reorganization energy of rubrene to elucidate the origin of the large hole mobilities was …
reorganization energy of rubrene to elucidate the origin of the large hole mobilities was …