Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials

V Bhat, CP Callaway, C Risko - Chemical Reviews, 2023 - ACS Publications
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …

Recent advances and prospects of small molecular organic thermoelectric materials

D Zhou, H Zhang, H Zheng, Z Xu, H Xu, H Guo, P Li… - Small, 2022 - Wiley Online Library
Thermoelectric (TE) materials possess unique energy conversion capabilities between heat
and electrical energy. Small organic semiconductors have aroused widespread attention for …

High Thermal Conductive Crystalline Organohalide for Endurable Resistive Switching Non‐Volatile Memory

JH Lee, SK Jung, G Kim, JS Park, K Park… - Advanced …, 2024 - Wiley Online Library
The organic‐based memristive devices are widely studied as a next‐generation electronics
for eco‐friendly wearable applications, thanks to materialsflexibility and biocompatibility …

AI-assisted inverse design of sequence-ordered high intrinsic thermal conductivity polymers

X Huang, CY Zhao, H Wang, S Ju - Materials Today Physics, 2024 - Elsevier
Artificial intelligence (AI) promotes the polymer design paradigm from a traditional trial-and-
error approach to a data-driven style. Achieving high thermal conductivity (TC) for intrinsic …

Crucial role of interfacial thermal dissipation in the operational stability of organic field-effect transistors

K Tie, J Qi, Y Hu, Y Fu, S Sun, Y Wang, Y Huang… - Science …, 2024 - science.org
The operational stability becomes a key issue affecting the commercialization for organic
field-effect transistors (OFETs). It is widely recognized to be closely related to the defects and …

Numerical investigation of thermal conductivity of Cu/graphene/Cu interface

D Li, H Yang, L Li, P Yang - Applied Physics Letters, 2023 - pubs.aip.org
The purpose of this work is to investigate the contribution of in-plane and out-of-plane
phonon modes to interface thermal conductivities (ITC) of the Cu/graphene/Cu interface …

Thermal transport in metal halide perovskites and other third-generation photovoltaic materials

D Chen, S Li, B Li, P Guo - Applied Physics Reviews, 2024 - pubs.aip.org
Third-generation photovoltaic materials, including metal halide perovskites (MHPs), colloidal
quantum dots (QDs), copper zinc tin sulfide (CZTS), and organic semiconductors, among …

Achieving Zero‐Temperature Coefficient Point Behavior by Defect Passivation for Temperature‐Immune Organic Field‐Effect Transistors

J Qi, K Tie, Y Ma, Y Huang, W Gong, S Sun… - Advanced …, 2024 - Wiley Online Library
Organic field‐effect transistors (OFETs) have broad prospects in biomedical, sensor, and
aerospace applications. However, obtaining temperature‐immune OFETs is difficult …

Unveiling the mechanism of remote epitaxy of crystalline semiconductors on 2D materials-coated substrates

X Wang, J Choi, J Yoo, YJ Hong - Nano Convergence, 2023 - Springer
Remote epitaxy has opened novel opportunities for advanced manufacturing and
heterogeneous integration of two-dimensional (2D) materials and conventional (3D) …

Weak interaction engineering on thermal transport in metal-organic semiconductor nanocomposites with self-assembled monolayers

W Wang, C Yang, S Xiong, X Wang - International Journal of Heat and Mass …, 2023 - Elsevier
The engineering of weak interactions between metals and organic semiconductors is crucial
in regulating energy carrier transport within organic semiconductor electronics. In this study …