93 citations · 260 across the 8 of their papers we have counts for
8 papers
Understanding the fill-factor limit of organic solar cells
Huotian Zhang, Jun Yuan, Tong Wang +14
Although the power conversion efficiencies of organic solar cells (OSCs) have surpassed 20%, they still lag behind commercial inorganic solar cells and emerging perovskite solar ce…
Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons:A Message Passing Neural Network Approach
Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas A. R. Purcell +1
Accurately and efficiently predicting the infrared (IR) spectra of a molecule can provide insights into the structure-properties relationships of molecular species, which has led t…
Interplay Between Mixed and Pure Exciton States Controls Singlet Fission in Rubrene Single Crystals
Dmitry R. Maslennikov, Marios Maimaris, Haoqing Ning +9
Singlet fission (SF) is a multielectron process in which one singlet exciton S converts into a pair of triplet excitons T+T. SF is widely studied as it may help overcome the Shockl…
Electronic structure of confined carbyne from joint wavelength-dependent resonant Raman spectroscopy and density functional theory investigations
Miles Martinati, Wim Wenseleers, Lei Shi +7
Carbyne, i.e. an infinitely long linear carbon chain (LCC), has been at the focus of a lot of research for quite a while, yet its optical, electronic, and vibrational properties ha…
Mode-selective vibrational control of charge transport in -conjugated molecular materials
Artem A. Bakulin, Robert Lovrinčić, Yu Xi +8
The soft character of organic materials leads to strong coupling between molecular nuclear and electronic dynamics. This coupling opens the way to control charge transport in organ…
Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport
Yuan Li, Yuanping Yi, Veaceslav Coropceanu +1
We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonot…
Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion
Yuan Li, Veaceslav Coropceanu, Jean-Luc Brédas
We report on electronic-structure calculations for the pentacene and rubrene crystals, based on experimental crystal geometries measured at different temperatures. The results are…
Symmetry Effects on Nonlocal Electron-Phonon Coupling in Organic Semiconductors
Yuan Li, Yuanping Yi, Veaceslav Coropceanu +1
The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on tem…