133 citations · 256 across the 9 of their papers we have counts for
9 papers
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…
Intermolecular CT excitons enable nanosecond excited-state lifetimes in NIR-absorbing non-fullerene acceptors for efficient organic solar cells
Xian-Kai Chen, Christopher C. S. Chan, Sudhi Mahadevan +8
State-of-the-art Y6-type molecular acceptors exhibit nanosecond excited-state lifetimes despite their low optical gaps (~1.4 eV), thus allowing organic solar cells (OSCs) to achiev…
Frontier Orbital Degeneracy: A new Concept for Tailoring the Magnetic State in Organic Semiconductor Adsorbates
Anubhab Chakraborty, Percy Zahl, Qingqing Dai +5
Kondo resonances in molecular adsorbates are an important building block for applications in the field of molecular spintronics. Here, we introduce the novel concept of using front…
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…