Cargando…

Nonfullerene Near-Infrared Sensitive Acceptors “Octacyclic Naphtho[1,2-b:5,6-b] Dithiophene Core” for Organic Solar Cell Applications: In Silico Molecular Engineering

[Image: see text] End-capped modification is an efficient approach for enhancing the power conversion efficiency of organic solar cells (OSCs). Herein, five novel acceptor molecules have been designed by end-capper modification of the recently synthesized molecule NTIC (R). Different geometric and p...

Descripción completa

Detalles Bibliográficos
Autores principales:	Sattar, Abdul, Hussain, Riaz, Ishaq, Sahar, Assiri, Mohammed A., Imran, Muhammad, Hussain, Ajaz, Yawer, Mirza Arfan, Jan, Saleem, Yasir Mehboob, Muhammad, Khalid, Muhammad, Ayub, Khurshid
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9118217/ https://www.ncbi.nlm.nih.gov/pubmed/35601321 http://dx.doi.org/10.1021/acsomega.2c01255

Ejemplares similares

Computational Investigation of Near-Infrared-Absorbing Indeno[1,2-b]indole Analogues as Acceptors in Organic Photovoltaic Devices
por: Alarfaji, Saleh S., et al.
Publicado: (2022)

In Silico Designing of Thieno[2,3-b]thiophene Core-Based Highly Conjugated, Fused-Ring, Near-Infrared Sensitive Non-fullerene Acceptors for Organic Solar Cells
por: Alarfaji, Saleh S., et al.
Publicado: (2023)

Designing small organic non-fullerene acceptor molecules with diflorobenzene or quinoline core and dithiophene donor moiety through density functional theory
por: Bary, Ghulam, et al.
Publicado: (2021)

Naphtho[1,2-c:5,6-c′]bis[1,2,5]thiadiazole-Based Nonfullerene Acceptors: Effect of Substituents on the Thiophene Unit on Properties and Photovoltaic Characteristics
por: Chatterjee, Shreyam, et al.
Publicado: (2018)

Antiproliferative Properties and G-Quadruplex-Binding of Symmetrical Naphtho[1,2-b:8,7-b’]dithiophene Derivatives
por: Lauria, Antonino, et al.
Publicado: (2021)

Ab Initio Study of Two-Dimensional Cross-Shaped Non-Fullerene Acceptors for Efficient Organic Solar Cells
por: Riaz, Saim, et al.
Publicado: (2022)

Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations
por: Khalid, Muhammad, et al.
Publicado: (2019)

Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential
por: Rashid, Ehsan Ullah, et al.
Publicado: (2023)

N,N′-Bis(2-cyclohexylethyl)naphtho[2,3-b:6,7-b′]dithiophene Diimides: Effects of Substituents
por: Nakano, Masahiro, et al.
Publicado: (2016)

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B(12)N(12) Nanocages: A Comparative DFT Study
por: Hussain, Shahid, et al.
Publicado: (2020)

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)

Designing Novel Zn-Decorated Inorganic B(12)P(12) Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO(2) Sensing Materials
por: Hussain, Shahid, et al.
Publicado: (2020)

In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
por: Khan, Muhammad Usman, et al.
Publicado: (2020)

In Silico Designing of Mg(12)O(12) Nanoclusters with a Late Transition Metal for NO(2) Adsorption: An Efficient Approach toward the Development of NO(2) Sensing Materials
por: Hussain, Shahid, et al.
Publicado: (2021)

A Theoretical Framework of Zinc-Decorated Inorganic Mg(12)O(12) Nanoclusters for Efficient COCl(2) Adsorption: A Step Forward toward the Development of COCl(2) Sensing Materials
por: Hussain, Shahid, et al.
Publicado: (2021)

New Non-Fullerene Acceptor with Extended Conjugation of Cyclopenta [2,1-b:3,4-b’] Dithiophene for Organic Solar Cells
por: Sun, Cheng, et al.
Publicado: (2022)

Recent Progress in Fused-Ring Based Nonfullerene Acceptors for Polymer Solar Cells
por: Cui, Chaohua
Publicado: (2018)

Silicon and oxygen synergistic effects for the discovery of new high-performance nonfullerene acceptors
por: Qin, Ying, et al.
Publicado: (2020)

Interactions between nonfullerene acceptors lead to unstable ternary organic photovoltaic cells
por: Li, Yongxi, et al.
Publicado: (2023)

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)

Density functional theory study of palladium cluster adsorption on a graphene support
por: Hussain, Riaz, et al.
Publicado: (2020)

A Tetraperylene Diimides Based 3D Nonfullerene Acceptor for Efficient Organic Photovoltaics
por: Liu, Shi‐Yong, et al.
Publicado: (2015)

Nonfullerene acceptors comprising a naphthalene core for high efficiency organic solar cells
por: Zhang, Zhe, et al.
Publicado: (2019)

Insights into the nonlinear optical (NLO) response of pure Aum (2 ≥ m ≤ 7) and copper-doped Au(m)–xCu(x) clusters
por: Hussain, Fakhar, et al.
Publicado: (2022)

Fabrication of Bimetallic Cu–Ag Nanoparticle-Decorated Poly(cyclotriphosphazene-co-4,4′-sulfonyldiphenol) and Its Enhanced Catalytic Activity for the Reduction of 4-Nitrophenol
por: Ahmad, Muhammad, 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)

Promising impact of push–pull configuration into designed octacyclic naphthalene-based organic scaffolds for nonlinear optical amplitudes: a quantum chemical approach
por: Khalid, Muhammad, et al.
Publicado: (2023)

Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds
por: Ali, Bakhat, et al.
Publicado: (2021)

Donor-Acceptor Substituted Benzo-, Naphtho- and Phenanthro-Fused Norbornadienes
por: Mansø, Mads, et al.
Publicado: (2020)

Quantum chemical modification of indaceno dithiophene-based small acceptor molecules with enhanced photovoltaic aspects for highly efficient organic solar cells
por: Rashid, Ehsan Ullah, et al.
Publicado: (2022)

Approach toward Low Energy Loss in Symmetrical Nonfullerene Acceptor Molecules Inspired by Insertion of Different π-Spacers for Developing Efficient Organic Solar Cells
por: Rehman, Faseh ur, et al.
Publicado: (2023)

Designing Electron-Deficient Diketone Unit Based Non-Fused Ring Acceptors with Amplified Optoelectronic Features for Highly Efficient Organic Solar Cells: A DFT Study
por: Khan, Muhammad Usman, et al.
Publicado: (2023)

Phosphazene Cyclomatrix Network-Based Polymer: Chemistry, Synthesis, and Applications
por: Ahmad, Muhammad, et al.
Publicado: (2022)

Medium Bandgap Nonfullerene Acceptor for Efficient Ternary Polymer Solar Cells with High Open-Circuit Voltage
por: Keshtov, Mukhamed L., et al.
Publicado: (2023)

Synthesis of Diaminopyrimidine Sulfonate Derivatives and Exploration of Their Structural and Quantum Chemical Insights via SC-XRD and the DFT Approach
por: Ali, Akbar, et al.
Publicado: (2021)

Analysis of the Performance of Narrow-Bandgap Organic Solar Cells Based on a Diketopyrrolopyrrole Polymer and a Nonfullerene Acceptor
por: van der Pol, Tom P. A., et al.
Publicado: (2021)

Selective Extraction of Nonfullerene Acceptors from Bulk-Heterojunction Layer in Organic Solar Cells for Detailed Analysis of Microstructure
por: Nakano, Masahiro, et al.
Publicado: (2021)

Control over π-π stacking of heteroheptacene-based nonfullerene acceptors for 16% efficiency polymer solar cells
por: Ma, Yunlong, et al.
Publicado: (2020)

Recent Advances in Nonfullerene Acceptor‐Based Layer‐by‐Layer Organic Solar Cells Using a Solution Process
por: Jee, Min Hun, et al.
Publicado: (2022)

Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione
por: Ramirez, Amanda L., et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_efa4u0j4jv4ci02dcbs7mm06kc