4.7 Article

Exploring the photovoltaic properties of promising non-fullerene acceptors with different degrees of asymmetry due to halogenations of terminal groups

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 Materials Science, Multidisciplinary

Effects of edge substitution of subazaphenalenephthalocyanine with electron withdrawing and/or donating groups on electronic and optical properties: A DFT/TDDFT study

Jie Zhang et al.

Summary: In this study, a series of subAPPC derivatives were modeled by substituting different electron donating and/or withdrawing groups, showing potential as donor or acceptor materials in organic solar cells. By controlling the physical and optical properties through group substitutions, the energy conversion efficiency of these derivatives could be improved.

MATERIALS CHEMISTRY AND PHYSICS (2021)

Article Biochemistry & Molecular Biology

Simple, reliable, and universal metrics of molecular planarity

Tian Lu

Summary: This paper introduces two metrics, MPP and SDP, for measuring the planarity of molecules. These metrics can be used to study the planarity of the entire molecule, measure the planarity of local structures, and even analyze the variation of molecular planarity during dynamic processes. Additionally, a new representation method based on coloring atoms according to their deviation distance from the fitting plane is proposed, which proves to be very useful in graphically exhibiting molecular planarity.

JOURNAL OF MOLECULAR MODELING (2021)

Article Materials Science, Multidisciplinary

Effects of functionalization of Y6 end-groups with electron-withdrawing groups on the photovoltaic properties at the donor-acceptor interfaces of PM6/Y6 OSCs: A theoretical insight

Wuke Qiu et al.

Summary: This study investigates the properties of organic solar cells based on Y6 and its derivatives, revealing the impact of chlorination on interfacial properties and the limitations in computational results for asymmetrical molecules. The findings provide insights into donor-acceptor interfacial properties in OSCs.

ORGANIC ELECTRONICS (2021)

Article Multidisciplinary Sciences

Unveiling structure-performance relationships from multi-scales in non-fullerene organic photovoltaics

Shuixing Li et al.

Summary: The study conducted on four non-fullerene acceptors reveals how extended conjugation, asymmetric terminals, and alkyl chain length can affect device performance. Understanding correlations between molecular structures and macroscopic properties is critical in realizing highly efficient organic photovoltaics.

NATURE COMMUNICATIONS (2021)

Article Chemistry, Multidisciplinary

Asymmetric Acceptors with Fluorine and Chlorine Substitution for Organic Solar Cells toward 16.83% Efficiency

Tao Liu et al.

ADVANCED FUNCTIONAL MATERIALS (2020)

Article Chemistry, Multidisciplinary

Asymmetric Electron Acceptors for High-Efficiency and Low-Energy-Loss Organic Photovoltaics

Shuixing Li et al.

ADVANCED MATERIALS (2020)

Review Chemistry, Physical

Asymmetric Nonfullerene Small Molecule Acceptors for Organic Solar Cells

Chao Li et al.

ADVANCED ENERGY MATERIALS (2019)

Review Chemistry, Physical

Organic solar cells based on non-fullerene acceptors

Jianhui Hou et al.

NATURE MATERIALS (2018)

Article Chemistry, Physical

Multi-component non-fullerene acceptors with tunable bandgap structures for efficient organic solar cells

Bowei Gao et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

Article Chemistry, Multidisciplinary

Molecular Optimization Enables over 13% Efficiency in Organic Solar Cells

Wenchao Zhao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

Limits for Recombination in a Low Energy Loss Organic Heterojunction

S. Matthew Menke et al.

ACS NANO (2016)

Review Chemistry, Physical

Recent Advances in the Optimally Tuned Range-Separated Density Functional Theory

Sun Hai-Tao et al.

ACTA PHYSICO-CHIMICA SINICA (2016)

Article Chemistry, Multidisciplinary

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

Yuze Lin et al.

ADVANCED MATERIALS (2015)

Article Chemistry, Physical

Design Proposals for Organic Materials Exhibiting a Low Exciton Binding Energy

Stefan Kraner et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Spectroscopy

The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile

Zeynep Demircioglu et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)

Article Chemistry, Multidisciplinary

Wavefunction and reactivity study of benzo[a]pyrene diol epoxide and its enantiomeric forms

Tian Lu et al.

STRUCTURAL CHEMISTRY (2014)

Article Chemistry, Physical

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

Ciro A. Guido et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Structural and vibrational study on zwitterions of L-threonine in aqueous phase using the FT-Raman and SCRF calculations

Karina Andrea Guzzetti et al.

JOURNAL OF MOLECULAR STRUCTURE (2013)

Article Chemistry, Physical

An improved B3LYP method in the calculation of organic thermochemistry and reactivity

Lilin Lu et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Biochemical Research Methods

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

Tian Lu et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2012)

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)

Review Chemistry, Multidisciplinary

n-Type Organic Semiconductors in Organic Electronics

John E. Anthony et al.

ADVANCED MATERIALS (2010)

Review Chemistry, Multidisciplinary

The Electronic Couplings in Electron Transfer and Excitation Energy Transfer

Chao-Ping Hsu

ACCOUNTS OF CHEMICAL RESEARCH (2009)

Article Chemistry, Physical

Systematic optimization of long-range corrected hybrid density functionals

Jeng-Da Chai et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

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

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Physical

A long-range correction scheme for generalized-gradient-approximation exchange functionals

H Iikura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)