Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals

CrystEngComm ◽  
2021 ◽  
Author(s):  
Xibo Feng ◽  
Axel D. Becke ◽  
Erin R. Johnson
Keyword(s):  
Solid State ◽  
Theoretical Investigation ◽  
Molecular Crystals ◽  
Research Interest

Polymorph- and coformer-dependent photoluminescence (PL) are among the variety of novel solid-state PL phenomena recently observed in many molecular crystals. They are of particular research interest due to their direct...

Understanding the solid state luminescence and piezochromic properties in polymorphs of an anthracene derivative.

2022 ◽  
Author(s):  
Rachel Crespo-Otero ◽  
Alex Aziz ◽  
Amir Sidat ◽  
Priyesh Talati
Keyword(s):  
Solid State ◽  
Condensed Phase ◽  
Molecular Crystals ◽  
Research Interest ◽  
Anthracene Derivative ◽  
Significant Research ◽  
Optoelectronic Applications ◽  
External Stimuli ◽  
State Luminescence

Luminescent molecular crystals have gained significant research interest for optoelectronic applications. However, fully understanding their structural and electronic relationships in the condensed phase and under external stimuli remains a significant...

Solid state amorphization of organic molecular crystals using a vibrating mill

1995 ◽  
Vol 94 (12) ◽  
pp. 1013-1018 ◽  
Author(s):  
Itaru Tsukushi ◽  
Osamu Yamamuro ◽  
Takasuke Matsuo
Keyword(s):  
Solid State ◽  
Molecular Crystals ◽  
Organic Molecular Crystals ◽  
State Amorphization

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines:  A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

2001 ◽  
Vol 123 (37) ◽  
pp. 9045-9053 ◽  
Author(s):  
Sarah L. Hinchley ◽  
Carole A. Morrison ◽  
David W. H. Rankin ◽  
Charles L. B. Macdonald ◽  
Robert J. Wiacek ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Spontaneous Generation

Aggregation-induced emission in precursors to porous molecular crystals

2017 ◽  
Vol 53 (72) ◽  
pp. 10022-10025 ◽  
Author(s):  
Zhenglin Zhang ◽  
Mohamed I. Hashim ◽  
Ognjen Š. Miljanić
Keyword(s):  
Solid State ◽  
Molecular Crystals ◽  
Aggregation Induced Emission ◽  
Emission Behavior ◽  
Solid State Fluorescence

Trigonal fluorinated pyrazoles assemble into porous molecular crystals and show solid-state fluorescence. However, their emission behavior in solution is dramatically different.

scholarly journals Predicting the structures and associated phase transition mechanisms in disordered crystals via a combination of experimental and theoretical methods

2018 ◽  
Vol 211 ◽  
pp. 425-439 ◽  
Author(s):  
Michael T. Ruggiero ◽  
Johanna Kölbel ◽  
Qi Li ◽  
J. Axel Zeitler
Keyword(s):  
Phase Transition ◽  
Solid State ◽  
Time Domain ◽  
Density Functional ◽  
Molecular Crystals ◽  
Terahertz Time Domain Spectroscopy ◽  
Functional Theory ◽  
Theoretical Methods ◽  
Dynamics Simulations ◽  
Transformation Processes

Experimental terahertz time-domain spectroscopy and theoretical solid-state ab initio density functional theory and molecular dynamics simulations are used to elucidate the structures, dynamics, and phase transformation processes of molecular crystals undergoing a solid-state order–disorder transition.

scholarly journals Quantifying the impact of disorder on Li-ion and Na-ion transport in perovskite titanate solid electrolytes for solid-state batteries

2020 ◽  
Vol 8 (37) ◽  
pp. 19603-19611
Author(s):  
Adam R. Symington ◽  
John Purton ◽  
Joel Statham ◽  
Marco Molinari ◽  
M. Saiful Islam ◽  
...  
Keyword(s):  
Solid State ◽  
Ion Transport ◽  
Solid Electrolytes ◽  
Research Interest ◽  
Considerable Research ◽  
Solid State Batteries ◽  
Li Ion ◽  
All Solid State Batteries ◽  
And Performance ◽  
The Impact

Solid electrolytes for all-solid-state batteries are generating considerable research interest as a means to improving their safety, stability and performance.

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