Color-tunable upconversion-emission switch based on cocrystal-to-cocrystal transformation
Cocrystal engineering, involving the assembly of two or more components into a highly
ordered solid-state superstructure, has emerged as a popular strategy for tuning the …
ordered solid-state superstructure, has emerged as a popular strategy for tuning the …
Two-photon excited deep-red and near-infrared emissive organic co-crystals
Two-photon excited near-infrared fluorescence materials have garnered considerable
attention because of their superior optical penetration, higher spatial resolution, and lower …
attention because of their superior optical penetration, higher spatial resolution, and lower …
Efficient modeling of organic chromophores for entangled two-photon absorption
The use of a nonclassical light source for studying molecular electronic structure has been of
great interest in many applications. Here we report a theoretical study of entangled two …
great interest in many applications. Here we report a theoretical study of entangled two …
Ultrafast nonadiabatic dynamics probed by nitrogen K-edge absorption spectroscopy
The emergence of X-ray free electron lasers (X-FELs) has made it possible to probe
structural dynamics on the femtosecond timescale. This extension of experimental …
structural dynamics on the femtosecond timescale. This extension of experimental …
Manipulating two-photon absorption of molecules through efficient optimization of entangled light
We report how the unique temporal and spectral features of pulsed entangled photons from
a parametric downconversion source can be utilized for manipulating electronic excitations …
a parametric downconversion source can be utilized for manipulating electronic excitations …
Excited-state absorption by linear response time-dependent density functional theory
X Sheng, H Zhu, K Yin, J Chen, J Wang… - The Journal of …, 2020 - ACS Publications
Investigations of the ground and excited states absorption are very important for the
development of advanced optical limiters. Linear response time-dependent density …
development of advanced optical limiters. Linear response time-dependent density …
Effects of aggregation on the structures and excited-state absorption for zinc phthalocyanine
H Zhu, D Zhang, E Feng, X Sheng - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
In the present paper, the aggregated structures of zinc phthalocyanine (ZnPc) have been
investigated by considering its dimers and trimers. Based on the density functional theory …
investigated by considering its dimers and trimers. Based on the density functional theory …
Linear and quadratic response TDDFT methods for the excited-state absorption in oligofluorenes
H Zhu, J Wang, F Wang, E Feng, X Sheng - Chemical Physics Letters, 2021 - Elsevier
The excited-state absorption in a set of fluorene oligomers are simulated based on the LR-
TDDFT and QR-TDDFT calculations. It is shown that the results obtained from LR-TDDFT …
TDDFT and QR-TDDFT calculations. It is shown that the results obtained from LR-TDDFT …
Evaluation of single-reference DFT-based approaches for the calculation of spectroscopic signatures of excited states involved in singlet fission
J Han, DR Rehn, T Buckup… - The Journal of Physical …, 2020 - ACS Publications
Singlet fission (SF) has the potential to dramatically increase solar cell efficiency by
converting one singlet exciton to two free triplet excitons via a correlated triplet pair …
converting one singlet exciton to two free triplet excitons via a correlated triplet pair …
Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach
Applications of low-cost non-perturbative approaches in real time, such as time-dependent
density functional theory, for the study of nonlinear optical properties of large and complex …
density functional theory, for the study of nonlinear optical properties of large and complex …