Proton conducting neuromorphic materials and devices
Neuromorphic computing and artificial intelligence hardware generally aims to emulate
features found in biological neural circuit components and to enable the development of …
features found in biological neural circuit components and to enable the development of …
Relation between Double Layer Structure, Capacitance, and Surface Tension in Electrowetting of Graphene and Aqueous Electrolytes
Deciphering the mechanisms of charge storage on carbon-based materials is pivotal for the
development of next-generation electrochemical energy storage systems. Graphene, the …
development of next-generation electrochemical energy storage systems. Graphene, the …
Microstructural Model of Indacenodithiophene-co-benzothiadiazole Polymer: π-Crossing Interactions and Their Potential Impact on Charge Transport
Morphological and electronic properties of indacenodithiophene-co-benzothiadiazole
(IDTBT) copolymer with varying molecular weights are calculated through combined …
(IDTBT) copolymer with varying molecular weights are calculated through combined …
Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals
Organic semiconductors can improve the performance of wearable electronics, e-skins, and
pressure sensors by exploiting their mechanoelectric response. However, identifying new …
pressure sensors by exploiting their mechanoelectric response. However, identifying new …
Toward Efficient Modeling of Nonradiative Decay in Extended INVEST: Overcoming Computational Challenges in Quantum Dynamics Simulations
A Landi, G Ricci, Y Olivier, A Capobianco… - The Journal of …, 2024 - ACS Publications
In recent years, an increasing number of fully organic molecules capable of thermally
activated delayed fluorescence (TADF) have been reported, often with very small or even …
activated delayed fluorescence (TADF) have been reported, often with very small or even …
Constant chemical potential–quantum mechanical–molecular dynamics simulations of the graphene–electrolyte double layer
We present the coupling of two frameworks—the pseudo-open boundary simulation method
known as constant potential molecular dynamics simulations (CμMD), combined with …
known as constant potential molecular dynamics simulations (CμMD), combined with …
On the fundamentals of organic mixed ionic/electronic conductors
The first Telluride Science meeting (formerly TSRC) on organic mixed ionic and electronic
conductors (OMIECs), Oct 3–7, 2022, brought together researchers across the field to …
conductors (OMIECs), Oct 3–7, 2022, brought together researchers across the field to …
Effective Model Reduction Scheme for the Electronic Structure of Highly Doped Semiconducting Polymers
Highly doped organic polymers have emerged as prominent candidates within novel
technological disciplines, yet the fundamental correlation between structure and charge …
technological disciplines, yet the fundamental correlation between structure and charge …
Accessing the electronic structure of liquid crystalline semiconductors with bottom-up electronic coarse-graining
CI Wang, JC Maier, NE Jackson - Chemical Science, 2024 - pubs.rsc.org
Understanding the relationship between multiscale morphology and electronic structure is a
grand challenge for semiconducting soft materials. Computational studies aimed at …
grand challenge for semiconducting soft materials. Computational studies aimed at …
The dynamic nature of electrostatic disorder in organic mixed ionic and electronic conductors
Charge dynamics in disordered media is described invariably assuming that the energy
landscape for hopping site energy is stationary. Within the same framework, the correlation …
landscape for hopping site energy is stationary. Within the same framework, the correlation …