Cargando…

Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A(2)-π(2)-A(1)-π(1)-A(2) Configuration: A DFT-Based Exploration

Currently, polymer organic solar cells (POSCs) are widely utilized due to their significant application, such as low-cost power conversion efficiencies (PCEs). Therefore, we designed a series of photovoltaic materials (D1, D2, D3, D5 and D7) by the incorporation of selenophene units (n = 1–7) as π(1...

Descripción completa

Detalles Bibliográficos
Autores principales:	Arshad, Muhammad Nadeem, Shafiq, Iqra, Khalid, Muhammad, Asad, Mohammad, Asiri, Abdullah M., Alotaibi, Maha M., Braga, Ataualpa A. C., Khan, Anish, Alamry, Khalid A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10051165/ https://www.ncbi.nlm.nih.gov/pubmed/36987288 http://dx.doi.org/10.3390/polym15061508

Ejemplares similares

Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for non-fullerene-based chromophores
por: Arshad, Muhammad Nadeem, et al.
Publicado: (2022)

Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine
por: Farooq, Rabia, et al.
Publicado: (2022)

Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties
por: Khalid, Muhammad, et al.
Publicado: (2021)

Exploration of linear and third-order nonlinear optical properties for donor–π-linker–acceptor chromophores derived from ATT-2 based non-fullerene molecule
por: Sagir, Muhammad, et al.
Publicado: (2023)

Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study
por: Shafiq, Iqra, et al.
Publicado: (2023)

First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based chromophores
por: Khalid, Muhammad, et al.
Publicado: (2022)

Exploration of nonlinear optical enhancement in acceptor–π–donor indacenodithiophene based derivatives via structural variations: a DFT approach
por: Abid, Saba, et al.
Publicado: (2023)

Designing dibenzosilole core based, A(2)–π–A(1)–π–D–π–A(1)–π–A(2) type donor molecules for promising photovoltaic parameters in organic photovoltaic cells
por: Rani, Saima, et al.
Publicado: (2022)

Exploration of the Intriguing Photovoltaic Behavior for Fused Indacenodithiophene-Based A–D–A Conjugated Systems: A DFT Model Study
por: Arshad, Muhammad Nadeem, et al.
Publicado: (2022)

Influence of End-Capped Modifications in the Nonlinear Optical Amplitude of Nonfullerene-Based Chromophores with a D−π–A Architecture: A DFT/TDDFT Study
por: Khalid, Muhammad, et al.
Publicado: (2022)

A novel donor–π–acceptor halochromic 2,6-distyrylnaphthalene chromophore: synthesis, photophysical properties and DFT studies
por: Panahi, Farhad, et al.
Publicado: (2020)

Influence of Peripheral Modification of Electron Acceptors in Nonfullerene (O-IDTBR1)-Based Derivatives on Nonlinear Optical Response: DFT/TDDFT Study
por: Arshad, Muhammad Nadeem, et al.
Publicado: (2022)

Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study
por: Rani, Mafia, et al.
Publicado: (2023)

Quantum Chemical Exploration of A−π(1)–D(1)–π(2)–D(2)-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear Optical Properties
por: Mustafa, Ghulam, et al.
Publicado: (2023)

First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules
por: Khalid, Muhammad, et al.
Publicado: (2022)

Imidazole as a parent π-conjugated backbone in charge-transfer chromophores
por: Kulhánek, Jiří, et al.
Publicado: (2012)

Donor–π–donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency
por: Paek, S., et al.
Publicado: (2016)

Study of the Y-π, K-π AND π-π interactions
por: Franzini, P., et al.
Publicado: (1961)

ABAB Phthalocyanines: Scaffolds for Building Unprecedented Donor–π–Acceptor Chromophores
por: Fazio, Ettore, et al.
Publicado: (2016)

Multicomponent synthesis of chromophores – The one-pot approach to functional π-systems
por: Brandner, Larissa, et al.
Publicado: (2023)

Quinoline based thiosemicarbazones as colorimetric chemosensors for fluoride and cyanide ions and DFT studies
por: Basri, Rabia, et al.
Publicado: (2022)

Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
por: Khalid, Muhammad, et al.
Publicado: (2022)

Resonances in pp¯ → ηπ+π−π+π− at rest
por: Anisovich, A V, et al.
Publicado: (2001)

Selective Soxhlets extraction to enhance solubility of newly-synthesized poly(indoloindole-selenophene vinylene selenophene) donor for photovoltaic applications
por: Lim, Jihyun, et al.
Publicado: (2020)

Effect of the π-conjugation length on the properties and photovoltaic performance of A–π–D–π–A type oligothiophenes with a 4,8-bis(thienyl)benzo[1,2-b:4,5-b′]dithiophene core
por: Yin, Ni, et al.
Publicado: (2016)

Coupled channel analysis of proton-antiproton annihilation into π0π0π0, π0ηη and π0π0η
por: Amsler, C, et al.
Publicado: (1995)

Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells
por: Khalid, Muhammad, et al.
Publicado: (2022)

Role of donors in triggering second order non-linear optical properties of non-fullerene FCO-2FR1 based derivatives: A theoretical perspective
por: Khalid, Muhammad, et al.
Publicado: (2023)

DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS)
por: Vuai, Said A.H., et al.
Publicado: (2021)

Proton-antiproton annihilation into π0π0π0, π0π0η and π0ηη at 900 MeV/c
por: Amsler, C
Publicado: (2001)

Novel star-shaped D–π–D–π–D and (D–π)(2)–D–(π–D)(2) anthracene-based hole transporting materials for perovskite solar cells
por: Harikrishnan, Muniyasamy, et al.
Publicado: (2020)

LHCb - Charm mixing in D0 → K±π∓π±π∓
por: Smallwood, Jennifer Clare
Publicado: (2022)

Exploration of Photophysical and Nonlinear Properties of Salicylaldehyde-Based Functionalized Materials: A Facile Synthetic and DFT Approach
por: Imran, Muhammad, et al.
Publicado: (2021)

Theoretical designing of non-fullerene derived organic heterocyclic compounds with enhanced nonlinear optical amplitude: a DFT based prediction
por: Khalid, Muhammad, et al.
Publicado: (2022)

First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole derivatives
por: Khalid, Muhammad, et al.
Publicado: (2020)

On the Nature of σ–σ, σ–π, and π–π Stacking in Extended Systems
por: Cabaleiro-Lago, Enrique M., et al.
Publicado: (2018)

Multilayer Dye Aggregation at Dye/TiO(2) Interface via π…π Stacking and Hydrogen Bond and Its Impact on Solar Cell Performance: A DFT Analysis
por: Zhang, Lei, et al.
Publicado: (2016)

Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate
por: Asiri, Abdullah M., et al.
Publicado: (2012)

Terpyridine-Containing π-Conjugated Polymers for Light-Emitting and Photovoltaic Materials
por: Liu, Pan, et al.
Publicado: (2020)

Phase Diagrams of Ternary π-Conjugated Polymer Solutions for Organic Photovoltaics
por: Kim, Jung Yong
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_7po329ojhn7e5eer2oiqlijqje