Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound
A novel nitrothiophene derivative,((Z)-N-(4-nitrophenyl)-1-(5-nitrothiophen-2-yl) ethan-1-
imine, NNPEI, was synthesized by a condensation reaction and characterized by FT-IR, UV …
imine, NNPEI, was synthesized by a condensation reaction and characterized by FT-IR, UV …
Comprehensive analysis of DFT-3C methods with B3LYP and experimental data to model optoelectronic properties of tetracene
PA Praveen, D Saravanapriya, SV Bhat… - Materials Science in …, 2024 - Elsevier
Modern computational chemistry methods aid experimentalists in scrutinizing molecular
systems for organic optoelectronic device fabrication. They are also helpful for device …
systems for organic optoelectronic device fabrication. They are also helpful for device …
Impact of furan substitution on the optoelectronic properties of biphenylyl/thiophene derivatives for light-emitting transistors
PA Praveen, P Muthuraja, P Gopinath… - The Journal of …, 2022 - ACS Publications
Biphenylyl/thiophene systems are known for their ambipolar behavior and good optical
emissivity. However, often these systems alone are not enough to fabricate the commercial …
emissivity. However, often these systems alone are not enough to fabricate the commercial …
Theoretical insights on pyrene end-capped thiophenes/furans and their suitability towards optoelectronic applications
Organic semiconductors are attractive candidates for the development of flexible and
efficient optoelectronic devices. In this work, we have studied the pyrene end-capped …
efficient optoelectronic devices. In this work, we have studied the pyrene end-capped …
Theoretical Study of Charge Mobility in Crystal Porphine and a Computer Design of a Porphine-Based Semiconductive Discotic Liquid Mesophase
L Savintseva, A Avdoshin, S Ignatov… - International Journal of …, 2023 - mdpi.com
Organic semiconductors are the focus of numerous studies; they are used in electronic
devices. Modern research involves the production of neuromorphic organic materials …
devices. Modern research involves the production of neuromorphic organic materials …
Janus dione derivatives: Novel high-mobility hole transport materials for perovskite solar cells
Developing efficient and stable hole-transporting materials (HTMs) is very important for
improving the stability and increasing the power conversion efficiency of perovskite solar …
improving the stability and increasing the power conversion efficiency of perovskite solar …
Efficient Bilayer Light-Emitting Diode Based on Distyrylarylene-Containing Polymers: Numerical and DFT Simulation
In this article, we report a combined experimental and theoretical study on the optoelectronic
properties of two semi-conducting polymers containing different-conjugated sequences …
properties of two semi-conducting polymers containing different-conjugated sequences …
Exploration of electron transport behaviour of a push-push anil for possible application as an optical material
The present work delineates the relationship between the structural and spectral parameters
of an anil, salicylidene-orthochloroaniline through the determination of its optimized …
of an anil, salicylidene-orthochloroaniline through the determination of its optimized …