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An optoelectronic study to design better benzodithiophene (BDT) donor unit based non-fullerene organic solar cells (OSCs): the DFT approaches
Herein present research work, we have designed benzodithiophene based four new
molecules (D 1–D 4) linked with different non fullerene end-capped acceptor units. The …
molecules (D 1–D 4) linked with different non fullerene end-capped acceptor units. The …
In-silico design, pharmacophore-based screening, and molecular docking studies reveal that benzimidazole-1,2,3-triazole hybrids as novel EGFR inhibitors targeting …
Lung cancer is a complex and heterogeneous disease, which has been associated with
various molecular alterations, including the overexpression and mutations of the epidermal …
various molecular alterations, including the overexpression and mutations of the epidermal …
Designing and theoretical study of dibenzocarbazole derivatives based hole transport materials: application for perovskite solar cells
Hole-transporting materials (HTMs) are essentials in producing the efficient and stable
perovskite solar cells (PSCs). In this article, we provided the investigation results of …
perovskite solar cells (PSCs). In this article, we provided the investigation results of …
Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach
Currently, polycyclic aromatic compounds in organic solar cells (OSCs) have gained
substantial consideration in research communities due to their promising characteristics …
substantial consideration in research communities due to their promising characteristics …
Role of Iodo-Substituted Subphthalocyanine (Subpcs) π-conjugated aromatic N-fused di-Iminoisonidole units on the performance of non-fullerene small organic solar …
Four acceptor–donor-acceptor (ADA) type of iodo-substituted subphthalocyanine (Subpcs)
donor molecules have been designed with π-conjugated rigid tetrahedral geometry in which …
donor molecules have been designed with π-conjugated rigid tetrahedral geometry in which …
The conformational control of small DAD organic solar cells for large power conversion efficiency: A deep quantum chemistry analysis
Four naphthalene diimide (NDI) based small organic solar cells have been studied with for
photoexcited and photovoltaic properties. Density functional theory and Tamm-Dancoff …
photoexcited and photovoltaic properties. Density functional theory and Tamm-Dancoff …
Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based ADA organic solar cells: A step toward new strategies …
Abstract For Acceptor–Donor-Accepter (ADA) type of triangular shaped sub-phthalocyanines
(SubPcs) donor molecules namely SubPcs-EDM (sub-phthalocyanines-ethylidene di …
(SubPcs) donor molecules namely SubPcs-EDM (sub-phthalocyanines-ethylidene di …
An extension of electron acceptor sites around Thiazolothiazole unit for evaluation of large power conversion efficiency: A theoretical insight
Small organic solar cells containing thiazolothiazole unit as an electron acceptor for solution
processed bulk heterojunction (BHJ) small donor-acceptor-donor (DAD) type materials have …
processed bulk heterojunction (BHJ) small donor-acceptor-donor (DAD) type materials have …
Fine tuning the optical properties and Frontier orbital energy in pyrrolylenones as an example of D–π–A sensitizers via functionalization of the molecular backbone
Using pyrrolylenones as examples of D–π–A push–pull molecules with intramolecular
charge transfer, the common principles of tuning the HOMO and LUMO energy levels and …
charge transfer, the common principles of tuning the HOMO and LUMO energy levels and …
A theoretical investigation for improving the performance of non-fullerene organic solar cells through side-chain engineering of BTR non-fused-ring electron acceptors
In the current quantum chemical study, indacenodithiophene donor core-based the end-
capped alterations of the reference chromophore BTR drafted eight A2-A1-D-A1-A2 type …
capped alterations of the reference chromophore BTR drafted eight A2-A1-D-A1-A2 type …