Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
Non-fullerene (NF)-based compounds have attracted much attention as compared to
fullerene-based materials because of their promising optoelectronic properties, lower …
fullerene-based materials because of their promising optoelectronic properties, lower …
Influence of azo-based donor modifications on nonlinear optical amplitude of D-π-A based organic chromophores: A DFT/TD-DFT exploration
Organic heterocyclic fused ring compounds possess remarkable nonlinear optical (NLO)
amplitude, are potentially employed in optical computing and nano-photonics. Herein …
amplitude, are potentially employed in optical computing and nano-photonics. Herein …
First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based …
Now a days, researchers are constantly doing efforts to upgrade the performance of solar
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …
The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells
To meet the energy demands, fullerene-free organic systems have been emerging as
efficient photovoltaic materials. Therefore, we have tailored benzodithiophene-based A-π-D …
efficient photovoltaic materials. Therefore, we have tailored benzodithiophene-based A-π-D …
[HTML][HTML] Exploration of photovoltaic behavior of benzodithiophene based non-fullerene chromophores: first theoretical framework for highly efficient photovoltaic …
Keeping in view, the recent energy conditions and contribution of non-fullerene acceptors
(NFAs) towards organic solar cells (OSCs), a series of NFAs (D1-D9) was designed. The …
(NFAs) towards organic solar cells (OSCs), a series of NFAs (D1-D9) was designed. The …
First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules
The design of nonlinear optical (NLO) materials using conjugated molecules via different
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …
Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters
H Louis, TE Gber, DE Charlie, TGC Egemonye… - Journal of the Iranian …, 2023 - Springer
Herein, theoretical study on the adsorption and detection of hydroxymethanesulfonate (HMS-
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
Green synthesis of chromonyl chalcone and pyrazoline as potential antimicrobial agents–DFT, molecular docking and antimicrobial studies
The synthesis of biologically important chromonyl chalcone and pyrazoline derivative, via an
impressive as well as an eco-friendly green approach, using LaCl 3/nano SiO 2 catalyst …
impressive as well as an eco-friendly green approach, using LaCl 3/nano SiO 2 catalyst …
Influence of end-capped modifications in the nonlinear optical amplitude of nonfullerene-based chromophores with a D− π–A architecture: a DFT/TDDFT study
Nonlinear optical (NLO) materials have several uses in many fields such as solid physics,
biology, medicine, nuclear physics, and material research. Therefore, a series of …
biology, medicine, nuclear physics, and material research. Therefore, a series of …
End-capped engineering of Quinoxaline core-based non-fullerene acceptor materials with improved power conversion efficiency
Improving the light-harvesting efficiency and boosting open circuit voltage are crucial
challenges for enhancing the efficiency of organic solar cells. This work introduces seven …
challenges for enhancing the efficiency of organic solar cells. This work introduces seven …