Flexible molecular crystals for optoelectronic applications
C Wei, L Li, Y Zheng, L Wang, J Ma, M Xu… - Chemical Society …, 2024 - pubs.rsc.org
The cornerstones of the advancement of flexible optoelectronics are the design, preparation,
and utilization of novel materials with favorable mechanical and advanced optoelectronic …
and utilization of novel materials with favorable mechanical and advanced optoelectronic …
Molecular Geometry Impact on Deep Learning Predictions of Inverted Singlet–Triplet Gaps
L Barneschi, L Rotondi, D Padula - The Journal of Physical …, 2024 - ACS Publications
We present a deep learning model able to predict excited singlet–triplet gaps with a mean
absolute error (MAE) of≈ 20 meV to obtain potential inverted singlet–triplet (IST) …
absolute error (MAE) of≈ 20 meV to obtain potential inverted singlet–triplet (IST) …
Multiscale Modeling of Charge Transport in Organic Semiconductors: Assessing the Validity of the Harmonic Approximation for Low-Frequency Vibrations
In recent years, the importance of intrinsic disorder in organic semiconductors has gained
increasing attention as a factor limiting transport properties in these substrates. In particular …
increasing attention as a factor limiting transport properties in these substrates. In particular …
Genesis of the Chirality of Polythiophene Aggregates from Classical Molecular Dynamics
N Romagnoli, D Padula - The Journal of Physical Chemistry C, 2024 - ACS Publications
Conjugated polymers are widely used in electronic devices whose performance is highly
dependent on their electronic properties. Properties and performance are influenced by the …
dependent on their electronic properties. Properties and performance are influenced by the …