☆ 4.4 Article

Increasing the Photovoltaic Power of the Organic Solar Cells by Structural Modification of the R-P2F-Based Materials

JOURNAL OF MOLECULAR MODELING (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Biochemistry & Molecular Biology

High-performance non-fullerene acceptor-analogues designed from dithienothiophen [3,2-b]-pyrrolobenzothiadiazole (TPBT) donor materials

Faheem Abbas et al.

Summary: In this study, density functional theory (DFT) method was used to investigate the electronic structure properties and photovoltaic potential of a specific chromophore configuration. The results showed that tuning the donor-bridge configuration significantly increased the ease of charge transfer. The designed molecules demonstrated improved stability and optoelectronic properties compared to the reference compound. These findings suggest that the electron-deficient core is an effective end-capped electron acceptor for optimizing optoelectronic properties.

JOURNAL OF MOLECULAR MODELING (2023)

添加到收藏夹

Article Materials Science, Multidisciplinary

Design of new bithieno thiophene (BTTI) central core-based small molecules as efficient hole transport materials for perovskite solar cells and donor materials for organic solar cells

Faheem Abbas et al.

Summary: This study focuses on designing small molecules based on five bithienothiophene (BTTI) central cores to explore their optoelectronic properties as potential donor candidates for organic solar cells (OSCs) and HTMs. The newly fabricated molecules show excellent operational efficiency, higher Voc, and relatively high power conversion efficiency (PCE) compared to the reference molecule. The modification scheme proves to be a promising approach in designing proficient photovoltaic materials.

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS (2023)

添加到收藏夹

Article Chemistry, Physical

Advancing optoelectronic performance of organic solar cells: Computational modeling of non-fullerene donor based on end-capped triphenyldiamine (TPDA) molecules

Mohsen Doust Mohammadi et al.

Summary: In this study, quantum chemical and density functional theory (DFT) methods were used to investigate the enhancement of organic solar cells (OSCs) using triphenyldiamine-based molecules. A reference molecule (XSln84) and six modified molecules (A1 to A6) were analyzed and their molecular properties were thoroughly investigated. Compared to the reference molecule, all modified molecules exhibited higher open-circuit voltage (VOC) and remarkable power conversion efficiency (PCE), with A5 having the highest PCE. These findings contribute to understanding these molecules and their renewable energy applications, benefiting the field of organic solar cells.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2023)

添加到收藏夹

Article Chemistry, Physical

Easy and fast prediction of green solvents for small molecule donor-based organic solar cells through machine learning

Asif Mahmood et al.

Summary: Solubility is critical in various research areas and solubility parameters are useful for solvent selection. This study predicts Hansen solubility parameters using machine learning, comparing molecular descriptors and fingerprints as inputs. Machine learning models trained with descriptors show higher prediction ability than those trained with fingerprints, and offer an easy and fast alternative to density functional theory (DFT) methods. With the best-trained machine learning model, green solvents are selected for organic solar cell applications, offering a convenient and efficient method for solvent selection.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

Developing Efficient Small Molecule Acceptors with sp2-Hybridized Nitrogen at Different Positions by Density Functional Theory Calculations, Molecular Dynamics Simulations and Machine Learning

Asif Mahmood et al.

Summary: This study investigates the effect of nitrogen substitution on the performance of small molecule acceptors in organic solar cells. The results suggest that nitrogen substitution at the end-capping group is a better strategy for designing efficient small molecule acceptors.

CHEMISTRY-A EUROPEAN JOURNAL (2022)

添加到收藏夹

Article Chemistry, Applied

DFT calculations for adsorption of H2S and other natural gas compounds on (Fe, Co, Ni, Cu and Zn)-Y zeolite clusters

Mateus U. C. Braga et al.

Summary: The study identified Ni-Y zeolite as having potential for selective removal of H2S from natural gas, despite Co-Y zeolite presenting stronger adsorption energies for all compounds. NBO and EDA analysis revealed contributions of chemical hardness, electron transfer, and polarization to the adsorption energies of H2S, COS, and CO2 in transition metal-exchanged Y zeolite clusters.

MICROPOROUS AND MESOPOROUS MATERIALS (2022)

添加到收藏夹

Review Polymer Science

Machine Learning for Organic Photovoltaic Polymers: A Minireview

Asif Mahmood et al.

Summary: Machine learning is a powerful tool that can revolutionize material science and aid the design and screening of materials for polymer solar cells. Despite facing challenges, it remains an important aspect of data science applications.

CHINESE JOURNAL OF POLYMER SCIENCE (2022)

添加到收藏夹

Article Chemistry, Physical

Trapping of CO, CO2, H2S, NH3, NO, NO2, and SO2 by polyoxometalate compound

Mohsen Doust Mohammadi et al.

Summary: This study investigates the efficacy of polyoxometalate compound as an adsorbent for pollutant gases and determines the stable geometry and adsorption energy of specific complexes. The results suggest that polyoxometalate molecule is more efficient in detecting NO and NH3 due to higher adsorption energy.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2022)

添加到收藏夹

Article Polymer Science

Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state behaviour, and radial distribution function

Asif Mahmood et al.

Summary: Through computational analysis and molecular dynamics simulations, the effect of chalcogen atoms on polymer solar cell materials was studied. It was found that sulfur and selenium-based polymers have higher density of states and closer molecular packing, thus having the potential for practical design of efficient polymer solar cells.

POLYMER CHEMISTRY (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Adsorption of sulfur-containing gases on B36 nanocluster: a DFT study

Nontawat Ploysongsri et al.

Summary: In this study, the adsorption behavior of H2S, SO2, and SO3 on the B-36 surface was investigated using the DFT method. The most stable adsorption configurations were found, providing important insights into the adsorption of sulfur-containing gases. The results indicate that the B-36 nanocluster has the potential to be utilized for SO2 and SO3 storage and SO2 sensing applications.

JOURNAL OF SULFUR CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Physical

Adsorption of alkali and alkaline earth ions on nanocages using density functional theory

Mohsen Doust Mohammadi et al.

Summary: The study investigated the adsorption of alkali and alkaline earth ions onto inorganic nanocages, finding strong interaction between the ions and the nanocages. Different functional calculations were performed, and they were found to be compatible with each other.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

DFT Study for Adsorbing of Bromine Monochloride onto BNNT (5,5), BNNT (7,0), BC2NNT (5,5), and BC2NNT (7,0)

Mohsen Doust Mohammadi et al.

Summary: This study quantitatively examined the interactions between bromine monochloride and different types of nanotubes using density functional theory, revealing that physical adsorption and strong van der Waals interactions are the primary mechanisms. The HOMO-LUMO energy gaps of boron nitride nanotubes were found to significantly impact the adsorption of bromine monochloride.

JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY (2021)

添加到收藏夹

Article Chemistry, Physical

Silver clusters tune up electronic properties of graphene nanoflakes: A comprehensive theoretical study

Tabish Jadoon et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

添加到收藏夹

Article Computer Science, Interdisciplinary Applications

Optimization of the integration among traditional fossil fuels, clean energies, renewable sources, and energy storages: An MILP model for the coupled electric power, hydraulic, and natural gas systems

Gonzalo E. Alvarez et al.

COMPUTERS & INDUSTRIAL ENGINEERING (2020)

添加到收藏夹

Article Green & Sustainable Science & Technology

Testing the EKC hypothesis for the top six hydropower energy-consuming countries: Evidence from Fourier Bootstrap ARDL procedure

Ugur Korkut Pata et al.

JOURNAL OF CLEANER PRODUCTION (2020)

添加到收藏夹

Article Engineering, Electrical & Electronic

Molecular engineering of A-D-C-D-A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells

Riaz Hussain et al.

OPTICAL AND QUANTUM ELECTRONICS (2020)

添加到收藏夹

Article Chemistry, Physical

Designing of benzothiazole based non-fullerene acceptor (NFA) molecules for highly efficient organic solar cells

Rao Aqil Shehzad et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Dataset for concurrent echosounder and ADCP measurements at a tidal energy candidate site in Australia

Constantin Scherelis et al.

DATA IN BRIEF (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

The Potential of Biogas; the Solution to Energy Storage

Sebastian N. B. Villadsen et al.

CHEMSUSCHEM (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Recent Progress in Molecular Design of Fused Ring Electron Acceptors for Organic Solar Cells

Somnath Dey

SMALL (2019)

添加到收藏夹

Article Chemistry, Multidisciplinary

Tuning of optoelectronic properties of triphenylamines-based donor materials for organic solar cells

Maria Naeem et al.

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2019)

添加到收藏夹

Article Green & Sustainable Science & Technology

Assessment of wind energy potential using wind energy conversion system

Muhammad Shoaib et al.

JOURNAL OF CLEANER PRODUCTION (2019)

添加到收藏夹

Article Biochemical Research Methods

Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study

J. Carreto Escobar et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2019)

添加到收藏夹

Article Engineering, Electrical & Electronic

Demonstration of photonic micro-ring resonator based digital bit magnitude comparator

Foo Kui Law et al.

OPTICAL AND QUANTUM ELECTRONICS (2019)

添加到收藏夹

Article Chemistry, Physical

Single-Junction Organic Solar Cell with over 15% Efficiency Using Fused-Ring Acceptor with Electron-Deficient Core

Jun Yuan et al.

JOULE (2019)

添加到收藏夹

Review Chemistry, Multidisciplinary

Nonfullerene Acceptor Molecules for Bulk Heterojunction Organic Solar Cells

Guangye Zhang et al.

CHEMICAL REVIEWS (2018)

添加到收藏夹

Article Multidisciplinary Sciences

Organic and solution-processed tandem solar cells with 17.3% efficiency

Lingxian Meng et al.

SCIENCE (2018)

添加到收藏夹

Article Chemistry, Physical

Introducing Four 1,1-Dicyanomethylene-3-indanone End-Capped Groups as an Alternative Strategy for the Design of Small-Molecular Nonfullerene Acceptors

Asif Mahmood et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

添加到收藏夹

Article Chemistry, Physical

The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: A PBC-DFT, NBO, and QTAIM study

Mohsen Doust Mohammadi et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2018)

添加到收藏夹

Review Chemistry, Physical

2D Photovoltaic Devices: Progress and Prospects

Lin Wang et al.

SMALL METHODS (2018)

添加到收藏夹

Article Chemistry, Physical

Design of donor-acceptor-donor (D-A-D) type small molecule donor materials with efficient photovoltaic parameters

Muhammad Irfan et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells

Wenchao Zhao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

添加到收藏夹

Review Green & Sustainable Science & Technology

Device stability of perovskite solar cells - A review

M. I. Asghar et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2017)

添加到收藏夹

Article Chemistry, Physical

Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells

Muhammad Adnan et al.

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Designing Benzodithiophene-Based Donor Materials with Favorable Photovoltaic Parameters for Bulk Heterojunction Organic Solar Cells

Zeenat Zara et al.

CHEMISTRYSELECT (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Ternary Organic Solar Cells Based on Two Compatible Nonfullerene Acceptors with Power Conversion Efficiency >10%

Tao Liu et al.

ADVANCED MATERIALS (2016)

添加到收藏夹

Review Green & Sustainable Science & Technology

Solar energy for future world: - A review

Nadarajah Kannan et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Moth-Eye TiO2 Layer for Improving Light Harvesting Efficiency in Perovskite Solar Cells

Seong Min Kang et al.

SMALL (2016)

添加到收藏夹

Article Multidisciplinary Sciences

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes

Simon Gelinas et al.

SCIENCE (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Design of donors with broad absorption regions and suitable frontier molecular orbitals to match typical acceptors via substitution on oligo(thienylenevinylene) toward solar cells

Shanshan Tang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

添加到收藏夹

Article Chemistry, Physical

Open-circuit voltage in organic solar cells

Boyuan Qi et al.

JOURNAL OF MATERIALS CHEMISTRY (2012)

添加到收藏夹

Article Chemistry, Multidisciplinary

Solar Cell Efficiency, Self-Assembly, and Dipole-Dipole Interactions of Isomorphic Narrow-Band-Gap Molecules

Christopher J. Takacs et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

添加到收藏夹

Article Chemistry, Physical

Time-dependent transition density matrix

Yonghui Li et al.

CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Physical

The Binding Energy of Charge-Transfer Excitons Localized at Polymeric Semiconductor Heterojunctions

Simon Gelinas et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

添加到收藏夹

Article Polymer Science

The Influence of Electron Deficient Unit and Interdigitated Packing Shape of New Polythiophene Derivatives on Organic Thin-Film Transistors and Photovoltaic Cells

Hoyoul Kong et al.

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY (2011)

添加到收藏夹

Article Chemistry, Physical

Fullerene derivative acceptors for high performance polymer solar cells

Youjun He et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

Conjugated-Polymer Blends for Optoelectronics

Christopher R. McNeill et al.

ADVANCED MATERIALS (2009)

添加到收藏夹

Article Chemistry, Multidisciplinary

Nano-embossed hollow spherical TiO2 as bifunctional material for high-efficiency dye-sensitized solar cells

Hyung-Jun Koo et al.

ADVANCED MATERIALS (2008)

添加到收藏夹

Article Materials Science, Multidisciplinary

Solution-processed organic solar cells

Christoph J. Brabec et al.

MRS BULLETIN (2008)

添加到收藏夹

Article Chemistry, Physical

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

Jeng-Da Chai et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)

添加到收藏夹

Article Chemistry, Multidisciplinary

A high-light-harvesting-efficiency coumarin dye for stable dye-sensitized solar cells

Zhong-Sheng Wang et al.

ADVANCED MATERIALS (2007)

添加到收藏夹

Review Green & Sustainable Science & Technology

Energy supply, its demand and security issues for developed and emerging economies

M. Asif et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2007)

添加到收藏夹

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

添加到收藏夹

Article Energy & Fuels

Bulk-heterojunction photovoltaic devices based on donor-acceptor organic small molecule blends

D Gebeyehu et al.

SOLAR ENERGY MATERIALS AND SOLAR CELLS (2003)

添加到收藏夹

Article Chemistry, Multidisciplinary

Improved pattern transfer in soft lithography using composite stamps

TW Odom et al.

LANGMUIR (2002)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.